5-Methyl-CTP

C10H18N3O14P3CAS 327174-86-7497.18 g/mol

Open in Covalent MOL file
NONH2NOOPOHOOPOOHOPOOHHOOHHO
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H18N3O14P3
Molar mass
497.18 g/mol
Exact mass
497.0002 Da
logP
-1.90Crippen estimate
Polar surface area
270.4 Ų
H-bond donors / acceptors
7 / 12
Rotatable bonds
8
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
327174-86-7
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChIKey
YIJVOACVHQZMKI-JXOAFFINSA-N
InChI
InChI=1S/C10H18N3O14P3/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1

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Names and synonyms

1 names
  • Cytidine 5'-(tetrahydrogen triphosphate), 5-methyl-

Work with 5-Methyl-CTP

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

5-Methyluridine 5′-triphosphate23198-01-880 % similar Uridine triphosphate63-39-865 % similar Uridine diphosphate58-98-062 % similar 5′-ATP56-65-561 % similar Adenosine diphosphate58-64-058 % similar Diquafosol59985-21-658 % similar 5′-CTP65-47-456 % similar Uridine monophosphate58-97-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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