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2140-61-6

2140-61-6 | 5-Methylcytidine

CAS No: 2140-61-6 Catalog No: AG0034AT MDL No:MFCD00006548

Product Description

Catalog Number:
AG0034AT
Chemical Name:
5-Methylcytidine
CAS Number:
2140-61-6
Molecular Formula:
C10H15N3O5
Molecular Weight:
257.2432
MDL Number:
MFCD00006548
IUPAC Name:
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
InChI:
InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1
InChI Key:
ZAYHVCMSTBRABG-JXOAFFINSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(C)c(nc1=O)N
EC Number:
218-390-8

Properties

Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.101g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
257.246g/mol
Monoisotopic Mass:
257.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  

Literature

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