Cytidine, sulfate (salt)

C9H15N3O9SCAS 32747-18-5341.29 g/mol

Open in Covalent MOL file
HNNOOHOHHOOHNOSOOHHO
AlcoholEtherPhenol

Properties

Molecular formula
C9H15N3O9S
Molar mass
341.29 g/mol
Exact mass
341.0529 Da
logP
-2.97Crippen estimate
Polar surface area
206.4 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
32747-18-5
SMILES
N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1.O=S(=O)(O)O
InChIKey
SYPYJHGPUCBHLU-IAIGYFSYSA-N
InChI
InChI=1S/C9H13N3O5.H2O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;1-5(2,3)4/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);(H2,1,2,3,4)/t4-,6-,7-,8-;/m1./s1

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Work with Cytidine, sulfate (salt)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cytarabine147-94-4Free base, diastereomer Cytidine65-46-3Free base Cytarabine hydrochloride69-74-9Salt, diastereomer

Similar compounds

2′-Deoxy-2′-fluorocytidine10212-20-167 % similar 2′-O-Methylcytidine2140-72-965 % similar 3′-Cmp84-52-662 % similar 2′-Cytidylic acid85-94-962 % similar Polycytidylic acid30811-80-460 % similar Cytidine monophosphate63-37-660 % similar 2′-O-(2-Methoxyethyl)cytidine223777-16-060 % similar Disodium 5′-cytidylate6757-06-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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