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Chemical Product CAS:4343-64-05'-Cytidylic acid,N-methyl- (9CI)

CAS:4343-64-0
5'-Cytidylic acid,N-methyl- (9CI)

  • CAS No:

    4343-64-0
  • Name:

    5'-Cytidylic acid,N-methyl- (9CI)
  • Molecular Formula:

    C10H16 N3 O8 P
  • Molecular Weight:

    337.2242
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5'-Cytidylic acid,N-methyl- (9CI) ( CASNO:4343-64-0 )

Identification and Related Records
Name:
5'-Cytidylic acid,N-methyl- (9CI)
CAS Registry number:
4343-64-0
Synonyms:
Cytidine,N-methyl-, 5'-phosphate (7CI,8CI)
N4-Methylcytidine 5'-phosphate
Molecular Formula:
C10H16 N3 O8 P
Molecular Weight:
337.2242
Inchi:
InChI=1/C10H18N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5-9,14-15H,4,11H2,1H3,(H2,17,18,19)/p-2/t5-,6?,7-,8-,9-/m1/s1
Canonical SMILES:
CC(C)(C)C1CCC2(C(C1)O2)C3=CC=CC=C3
Isomers smiles:
CC(C)(C)[C@@H]1CC[C@]2([C@@H](C1)O2)C3=CC=CC=C3
Chemical and Physical Properties
Boiling Point:
644.9°C at 760 mmHg
Flash Point:
343.8°C
Computed Properties:
Molecular Weight:230.34528 [g/mol]
Molecular Formula:C16H22O
XLogP3-AA:4.1
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:230.167065
MonoIsotopic Mass:230.167065
Topological Polar Surface Area:12.5
Heavy Atom Count:17
Formal Charge:0
Complexity:284
Isotope Atom Count:0
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:2
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