chempirical

2'-C-Methylcytidine

C10H15N3O5CAS 20724-73-6257.25 g/mol

Open in Covalent MOL file
ONNONH2OHHOOH
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H15N3O5
Molar mass
257.25 g/mol
Exact mass
257.1012 Da
logP
-2.17Crippen estimate
Polar surface area
130.8 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20724-73-6
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O)O
InChIKey
PPUDLEUZKVJXSZ-VPCXQMTMSA-N
InChI
InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2'-C-Methylcytidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2'-C-Methyluridine31448-54-159 % similar (2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine863329-66-255 % similar 3'-Fluoro-3'-deoxycytidine123402-20-052 % similar 2'-C-Methyladenosine15397-12-352 % similar 2′-C-Methylguanosine374750-30-846 % similar Gemcitabine elaidate210829-30-444 % similar 2′,3′-O-Isopropylideneuridine362-43-642 % similar 2′-Deoxy-2′-fluoro-2′-C-methylcytidine817204-33-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N(4)-Methylcytidine10578-79-7 3'-O-Methylcytidine20594-00-7 5-Methylcytidine2140-61-6 2′-O-Methylcytidine2140-72-9 Benserazide322-35-0

Elsewhere

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