CAS
90349-93-2 Purity
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90349-93-2 Purity
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D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt
CAS
903508-30-5
Catalog Number
ACM903508305
Category
Other Products
Molecular Weight
380.18
Molecular Formula
C11H12Cl2NNaO6S
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Specification
Synonyms
4-[(1R,2R)-2-[(2,2-dichloroacetyl)amino]-1,3-dihydroxypropyl]benzenesulfonic Acid Sodium Salt; D-threo-p-[2-(2,2-Dichloroacetamido)-1,3-dihydroxypropyl]benzene-
sulfonic Acid Sodium Salt;
sulfonic Acid Sodium Salt;
IUPAC Name
sodium;4-[(1R,2R)-2-[(2,2-dichloroacetyl)amino]-1,3-dihydroxypropyl]benzenesulfonate
SMILES
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)S(=O)(=O)[O-].[Na+]
InChI Key
QFWZEJZHFNJQOE-VTLYIQCISA-M
Exact Mass
378.96600
H-Bond Acceptor
6
H-Bond Donor
3
What is the molecular formula of D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt?
The molecular formula is C11H12Cl2NNaO6S.
What is the molecular weight of D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt?
The molecular weight is 380.2 g/mol.
What are some synonyms for D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt?
Some synonyms include sodium;4-[(1R,2R)-2-[(2,2-dichloroacetyl)amino]-1,3-dihydroxypropyl]benzenesulfonate and DTXSID60849598.
When was D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt created and last modified?
It was created on 2013-05-22 and last modified on 2023-12-30.
What is the IUPAC name of D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt?
The IUPAC name is sodium;4-[(1R,2R)-2-[(2,2-dichloroacetyl)amino]-1,3-dihydroxypropyl]benzenesulfonate.
What are the InChI and InChIKey of D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt?
InChI: InChI=1S/C11H13Cl2NO6S.Na/c12-10(13)11(17)14-8(5-15)9(16)6-1-3-7(4-2-6)21(18,19)20;/h1-4,8-10,15-16H,5H2,(H,14,17)(H,18,19,20);/q;+1/p-1/t8-,9-;/m1./s1
InChIKey: QFWZEJZHFNJQOE-VTLYIQCISA-M
What is the Canonical SMILES representation of D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt?
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)S(=O)(=O)[O-].[Na+]
What are some other identifiers for D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt?
CAS: 903508-30-5
DSSTox Substance ID: DTXSID60849598
What is the topological polar surface area of D-Threo-1-(4-sulfonylphenyl)-2-dichloroacetylamino-1,3-propanediol sodium salt?
The topological polar surface area is 135 Å^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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