CS-0914403
Org198786-1
Manufacturer: ChemScene
CAS Number: 2412952-96-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇₁H₁₁₃NNaO₄₆S₇
Molecular Weight
1964.08
Synonyms
None
SMILES
C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CN(C)C)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa
735.7
Logp
-8.7087
H Acceptors
47
H Donors
23
Rotatable Bonds
37
Related Products
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₁H₁₁₃NNaO₄₆S₇
Molecular Weight: 1964.08
Synonyms: None
SMILES: C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CN(C)C)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa: 735.7
Logp: -8.7087
H Acceptors: 47
H Donors: 23
Rotatable Bonds: 37
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₁H₁₁₃NNaO₄₆S₇
Molecular Weight:
1964.08
Synonyms:
None
SMILES:
C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CN(C)C)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa:
735.7
Logp:
-8.7087
H Acceptors:
47
H Donors:
23
Rotatable Bonds:
37
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₂H₁₁₂NaO₄₈S₉
Molecular Weight: 2057.21
Synonyms: None
SMILES: C(SSCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)C9O)[H])[H])([C@H](O)C8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa: 769.76
Logp: -7.4142
H Acceptors: 49
H Donors: 24
Rotatable Bonds: 41
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₂H₁₁₂NaO₄₈S₉
Molecular Weight:
2057.21
Synonyms:
None
SMILES:
C(SSCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)C9O)[H])[H])([C@H](O)C8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa:
769.76
Logp:
-7.4142
H Acceptors:
49
H Donors:
24
Rotatable Bonds:
41
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₁H₁₁₀NaO₄₈S₈
Molecular Weight: 2011.11
Synonyms: None
SMILES: C(SCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa: 769.76
Logp: -8.4525
H Acceptors: 48
H Donors: 24
Rotatable Bonds: 39
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₁H₁₁₀NaO₄₈S₈
Molecular Weight:
2011.11
Synonyms:
None
SMILES:
C(SCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa:
769.76
Logp:
-8.4525
H Acceptors:
48
H Donors:
24
Rotatable Bonds:
39
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃₈H₂₁₄NaO₉₂S₁₅
Molecular Weight: 3849.09
Synonyms: None
SMILES: C(SC[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])(C(O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H])[C@@H]%10[C@]%11(O[C@]%12(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]%12O)(O[C@]%13(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]%13O)(O[C@]%14(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]%14O)(O[C@]%15(O[C@H](CSCCC(O)=O)[C@@](O[C@]%16(O[C@H](CSCCC(O)=O)[C@@](O[C@]%17(O[C@H](CSCCC(O)=O)[C@@](O[C@]%18(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O%10)([C@H](O)[C@H]%11O)[H])([C@H](O)[C@H]%18O)[H])[H])([C@H](O)[C@H]%17O)[H])[H])([C@H](O)[C@H]%16O)[H])[H])([C@H](O)[C@H]%15O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa: 1464.92
Logp: -16.413
H Acceptors: 93
H Donors: 46
Rotatable Bonds: 74
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃₈H₂₁₄NaO₉₂S₁₅
Molecular Weight:
3849.09
Synonyms:
None
SMILES:
C(SC[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])(C(O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H])[C@@H]%10[C@]%11(O[C@]%12(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]%12O)(O[C@]%13(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]%13O)(O[C@]%14(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]%14O)(O[C@]%15(O[C@H](CSCCC(O)=O)[C@@](O[C@]%16(O[C@H](CSCCC(O)=O)[C@@](O[C@]%17(O[C@H](CSCCC(O)=O)[C@@](O[C@]%18(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O%10)([C@H](O)[C@H]%11O)[H])([C@H](O)[C@H]%18O)[H])[H])([C@H](O)[C@H]%17O)[H])[H])([C@H](O)[C@H]%16O)[H])[H])([C@H](O)[C@H]%15O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa:
1464.92
Logp:
-16.413
H Acceptors:
93
H Donors:
46
Rotatable Bonds:
74