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146604-41-3 | Thymidine, 3'-deoxy-3'-(hydroxymethyl)-5'-O-(triphenylmethyl)-
CAS No: 146604-41-3 Catalog No: AG001E77 MDL No:
Product Description
Catalog Number:
AG001E77
Chemical Name:
Thymidine, 3'-deoxy-3'-(hydroxymethyl)-5'-O-(triphenylmethyl)-
CAS Number:
146604-41-3
Molecular Formula:
C30H30N2O5
Molecular Weight:
498.5696
IUPAC Name:
1-[(2R,4R,5S)-4-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C30H30N2O5/c1-21-18-32(29(35)31-28(21)34)27-17-22(19-33)26(37-27)20-36-30(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,18,22,26-27,33H,17,19-20H2,1H3,(H,31,34,35)/t22-,26-,27-/m1/s1
InChI Key:
BHUCGCGUUALWLN-GDKKVTFASA-N
SMILES:
OC[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
780
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
498.215g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
498.579g/mol
Monoisotopic Mass:
498.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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