CS-1000529
L-threo-2,3-Hexodiulosonic acid, δ-lactone
Manufacturer: ChemScene
CAS Number: 115397-56-3
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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
C₆H₆O₆
Molecular Weight
174.11
Synonyms
None
SMILES
C(O)[C@H]1[C@@H](O)C(=O)C(=O)C(=O)O1
Tpsa
100.9
Logp
-2.5968
H Acceptors
6
H Donors
2
Rotatable Bonds
1
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: C₆H₆O₆
Molecular Weight: 174.11
Synonyms: None
SMILES: C(O)[C@H]1[C@@H](O)C(=O)C(=O)C(=O)O1
Tpsa: 100.9
Logp: -2.5968
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆O₆
Molecular Weight:
174.11
Synonyms:
None
SMILES:
C(O)[C@H]1[C@@H](O)C(=O)C(=O)C(=O)O1
Tpsa:
100.9
Logp:
-2.5968
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₄₂N₆O₁₁
Molecular Weight: 626.66
Synonyms: None
SMILES: O([C@@H]1[C@@H](O)[C@H](O[C@H]2OC(CNC(OCC3=CC=C(N(=O)=O)C=C3)=O)=CC[C@H]2N)[C@@H](N)C[C@H]1N)[C@@H]4[C@H](O)[C@@H](NC)[C@@](C)(O)CO4
Tpsa: 269.17
Logp: -1.9756
H Acceptors: 15
H Donors: 8
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₄₂N₆O₁₁
Molecular Weight:
626.66
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](O)[C@H](O[C@H]2OC(CNC(OCC3=CC=C(N(=O)=O)C=C3)=O)=CC[C@H]2N)[C@@H](N)C[C@H]1N)[C@@H]4[C@H](O)[C@@H](NC)[C@@](C)(O)CO4
Tpsa:
269.17
Logp:
-1.9756
H Acceptors:
15
H Donors:
8
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₅₈N₆O₁₅
Molecular Weight: 826.89
Synonyms: None
SMILES: O([C@@H]1[C@@H](NC(OC(C)(C)C)=O)C[C@@H](N)[C@H](O[C@@H]2[C@H](O)[C@@H](NC)[C@@](C)(O)CO2)[C@H]1O)[C@@H]3[C@H](NC(OC(C)(C)C)=O)CC=C(CNC(OCC4=CC=C(N(=O)=O)C=C4)=O)O3
Tpsa: 293.79
Logp: 1.1564
H Acceptors: 17
H Donors: 8
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₅₈N₆O₁₅
Molecular Weight:
826.89
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](NC(OC(C)(C)C)=O)C[C@@H](N)[C@H](O[C@@H]2[C@H](O)[C@@H](NC)[C@@](C)(O)CO2)[C@H]1O)[C@@H]3[C@H](NC(OC(C)(C)C)=O)CC=C(CNC(OCC4=CC=C(N(=O)=O)C=C4)=O)O3
Tpsa:
293.79
Logp:
1.1564
H Acceptors:
17
H Donors:
8
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₁H₈₁N₇O₂₁
Molecular Weight: 1128.22
Synonyms: None
SMILES: O([C@@H]1[C@@H](NC(OC(C)(C)C)=O)C[C@@H](NC([C@H](CCNC(OC(C)(C)C)=O)O)=O)[C@H](O[C@@H]2[C@H](O)[C@@H](N(C(OC(C)(C)C)=O)C)[C@@](C)(O)CO2)[C@H]1O)[C@@H]3[C@H](NC(OC(C)(C)C)=O)CC=C(CNC(OCC4=CC=C(N(=O)=O)C=C4)=O)O3
Tpsa: 372.94
Logp: 3.2371
H Acceptors: 21
H Donors: 9
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₈₁N₇O₂₁
Molecular Weight:
1128.22
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](NC(OC(C)(C)C)=O)C[C@@H](NC([C@H](CCNC(OC(C)(C)C)=O)O)=O)[C@H](O[C@@H]2[C@H](O)[C@@H](N(C(OC(C)(C)C)=O)C)[C@@](C)(O)CO2)[C@H]1O)[C@@H]3[C@H](NC(OC(C)(C)C)=O)CC=C(CNC(OCC4=CC=C(N(=O)=O)C=C4)=O)O3
Tpsa:
372.94
Logp:
3.2371
H Acceptors:
21
H Donors:
9
Rotatable Bonds:
17