5'-O-(N-(alanyl)sulfamoyl)adenosine
Basic information
- CAS
112921-04-7- Standard SMILES
C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O- InChIKey
CWWYMWDIYBJVLP-YTMOPEAISA-N- Molecular formula
- C13H19N7O7S
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.10666714
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5'-O-(N-(alanyl)sulfamoyl)adenosine
- IUPAC
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-aminopropanoyl]sulfamate
- English name
- 5'-O-(N-(alanyl)sulfamoyl)adenosine
- Molecular formula
- C13H19N7O7S
- Molecular weight
- 417.4
Names & synonyms
112921-04-7Ala-SA5'-O-(N-(Alanyl)sulfamoyl)adenosine48GG0U2X78RefChem:527516(2S)-2-amino-1-(((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)sulfonyl)amino)propan-1-oneALASA((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl ((S)-2-aminopropanoyl)sulfamatedb-03376A5AUNII-48GG0U2X78SCHEMBL4320823
Show more names
Adenosine, 5'-[N-[(2S)-2-amino-1-oxopropyl]sulfamate](2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuryl]methyl [(S)-2-Aminopropanoyl]sulfamate
Adenosine,5'-[N-[(2S)-2-amino-1-oxopropyl]sulfamate]CHEMBL1163065SCHEMBL29531843DTXSID609209525'-O-(L-alanylsulfamoyl)adenosineBDBM50197291DB03376[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuryl]methyl [(S)-2-Aminopropanoyl]sulfamate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 677
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 48 GG0U2X78 · 48GG0U2X78
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Compound notes
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