COc1ccc(C(OC[C@@]2(COS(=O)(=O)c3ccc(C)cc3)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O)[C@H]2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
Name: [(2S,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
SMILES: COc1ccc(C(OC[C@@]2(COS(=O)(=O)c3ccc(C)cc3)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O)[C@H]2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

Molecular Processing

Molecular formula
C46H46N2O11S
Molecular weight
834.94
Exact mass
834.2822
XLogP
5.8
TPSA
164.61
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
16
Heavy atoms
60
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
222.52

Supplementary Information

InChIKey: JMCVJMNFJPUOKC-VZPNVXMMSA-N
Synonyms
SCHEMBL5663877JMCVJMNFJPUOKC-VZPNVXMMSA-N1-(3-O-Benzyl-5-O-(4,4'-dimethoxytrityl)-4-C-(p-toluenesulphonyloxymethyl)-beta-D-Xylofuranosyl)thymine
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Involved in 2 reactions→

Extended Search

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