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N4-Methyl-2'-O-methyl-cytidine

CAT: 0926-NM144592-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-NM144592-01Size:5 mg
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CAS Number
13048-95-8
Synonyms
N4, O2’-Dimethylcytidine
MDL Number
MFCD27921005
Smiles
CNC1=NC (=O) N (C=C1) [C@H]2[C@@H] ([C@@H] ([C@H] (O2) CO) O) OC
Molecular Formula
C11H17N3O5
Molecular Weight
271.27 g/mol
Controlled
No

Chemical Information

N(4), O(2')-Dimethylcytidine

structure given in first source

CAS Number13048-95-8
PubChem CID3080688
IUPAC Name1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one
Molecular FormulaC11H17N3O5
Molecular Weight271.27
XLogP-1.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity411
SMILES
CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OC
InChI
InChI=1S/C11H17N3O5/c1-12-7-3-4-14(11(17)13-7)10-9(18-2)8(16)6(5-15)19-10/h3-4,6,8-10,15-16H,5H2,1-2H3,(H,12,13,17)/t6-,8-,9-,10-/m1/s1
InChIKey
BNXGRQLXOMSOMV-PEBGCTIMSA-N
Chemical Structure
2D Structure
2D structure of N(4), O(2')-Dimethylcytidine
CAS: 13048-95-8
CID: 3080688
Formula: C11H17N3O5
MW: 271.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.27
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass271.11682065
Monoisotopic Mass271.11682065
Topological Polar Surface Area104 Ų
Heavy Atom Count19
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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