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131318-30-4 | Cytidine, 2',3'-dideoxy-N-[(4-methoxyphenyl)diphenylmethyl]- (9CI)
CAS No: 131318-30-4 Catalog No: AG000VX0 MDL No:
Product Description
Catalog Number:
AG000VX0
Chemical Name:
Cytidine, 2',3'-dideoxy-N-[(4-methoxyphenyl)diphenylmethyl]- (9CI)
CAS Number:
131318-30-4
Molecular Formula:
C29H29N3O4
Molecular Weight:
483.5583
IUPAC Name:
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one
InChI:
InChI=1S/C29H29N3O4/c1-35-24-14-12-23(13-15-24)29(21-8-4-2-5-9-21,22-10-6-3-7-11-22)31-26-18-19-32(28(34)30-26)27-17-16-25(20-33)36-27/h2-15,18-19,25,27,33H,16-17,20H2,1H3,(H,30,31,34)/t25-,27+/m0/s1
InChI Key:
KXDKNTWHDVJQFE-AHKZPQOWSA-N
SMILES:
OC[C@@H]1CC[C@@H](O1)n1ccc(nc1=O)NC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
483.216g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
483.568g/mol
Monoisotopic Mass:
483.216g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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