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MepA-ser

HCID 194871
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Basic information

CAS
110707-49-8
Standard SMILES
COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)[C@H](N)CO)[C@@H]1O
InChIKey
SFXOSIICMFBTII-KWGHVAAJSA-N
Molecular formula
C14H21N6O9P
Average molar mass
448.33 g/mol
Monoisotopic mass
448.11076327

Overview

RN given refers to (D-Ser)-isomer

Names & identifiers

Preferred name
MepA-ser
IUPAC
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]oxolan-3-yl] (2R)-2-amino-3-hydroxypropanoate
English name
MepA-ser
Molecular formula
C14H21N6O9P
Molecular weight
448.325101

Names & synonyms

Mepa-ser110707-49-82'(3')-O-Seryladenosine 5'-(O-methylphosphate)RefChem:156500[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]oxolan-3-yl] (2R)-2-amino-3-hydroxypropanoate

Database identifiers

CAS
110707-49-8
PubChem CID
194871

Properties

Computed structural propertiesFilling in

XLogP
-6.2
Topological polar surface area
227 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
14
Rotatable bonds
9
Heavy atoms
30
Formal charge
0
Complexity
661

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Compound notes

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