CS-1002132
(3S,6S,9S,12S,15S,18S,21S)-3-Carboxy-6,9,12,15,18-pentakis(carboxymethyl)-21-hydroxy-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaoxatricosanedioic acid
Manufacturer: ChemScene
CAS Number: 1800467-73-5
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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
C₂₈H₃₀O₂₉
Molecular Weight
830.52
Synonyms
None
SMILES
[C@H](C(O[C@H](C(O[C@H](C(O[C@@H](CC(O)=O)C(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)(OC([C@@H](OC([C@@H](OC([C@H](CC(O)=O)O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O
Tpsa
476.43
Logp
-4.7744
H Acceptors
21
H Donors
9
Rotatable Bonds
27
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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: C₂₈H₃₀O₂₉
Molecular Weight: 830.52
Synonyms: None
SMILES: [C@H](C(O[C@H](C(O[C@H](C(O[C@@H](CC(O)=O)C(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)(OC([C@@H](OC([C@@H](OC([C@H](CC(O)=O)O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O
Tpsa: 476.43
Logp: -4.7744
H Acceptors: 21
H Donors: 9
Rotatable Bonds: 27
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₀O₂₉
Molecular Weight:
830.52
Synonyms:
None
SMILES:
[C@H](C(O[C@H](C(O[C@H](C(O[C@@H](CC(O)=O)C(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)(OC([C@@H](OC([C@@H](OC([C@H](CC(O)=O)O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O
Tpsa:
476.43
Logp:
-4.7744
H Acceptors:
21
H Donors:
9
Rotatable Bonds:
27
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₄O₃₃
Molecular Weight: 946.59
Synonyms: None
SMILES: [C@@H](OC([C@@H](OC([C@@H](OC([C@@H](OC([C@H](CC(O)=O)O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)(C(O[C@H](C(O[C@H](C(O[C@@H](CC(O)=O)C(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O
Tpsa: 540.03
Logp: -5.3879
H Acceptors: 24
H Donors: 10
Rotatable Bonds: 31
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₄O₃₃
Molecular Weight:
946.59
Synonyms:
None
SMILES:
[C@@H](OC([C@@H](OC([C@@H](OC([C@@H](OC([C@H](CC(O)=O)O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)(C(O[C@H](C(O[C@H](C(O[C@@H](CC(O)=O)C(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O
Tpsa:
540.03
Logp:
-5.3879
H Acceptors:
24
H Donors:
10
Rotatable Bonds:
31
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁NO₃S₂
Molecular Weight: 305.37
Synonyms: None
SMILES: C(\C=C\C1=CC=CC=C1)=C\2/C(=O)N(CC(O)=O)C(=S)S2
Tpsa: 57.61
Logp: 2.5286
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁NO₃S₂
Molecular Weight:
305.37
Synonyms:
None
SMILES:
C(\C=C\C1=CC=CC=C1)=C\2/C(=O)N(CC(O)=O)C(=S)S2
Tpsa:
57.61
Logp:
2.5286
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃ClFN₅O₂
Molecular Weight: 361.76
Synonyms: None
SMILES: O=N(=O)C1=CC=2C(=NC=NC2NC3=CC=C(F)C(Cl)=C3)C=C1N(C)C
Tpsa: 84.19
Logp: 4.1401
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃ClFN₅O₂
Molecular Weight:
361.76
Synonyms:
None
SMILES:
O=N(=O)C1=CC=2C(=NC=NC2NC3=CC=C(F)C(Cl)=C3)C=C1N(C)C
Tpsa:
84.19
Logp:
4.1401
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4