5'-O-(4,4'-dimethoxytrityl)thymidine-3'-O-(2,4-dinitrophenyl) succinate

HCID 130348

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Basic information

CAS: 125078-79-7
Standard SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OC(=O)CCC(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey: XVOZHFAFSYOEEW-LIVOIKKVSA-N
Molecular formula: C41H38N4O14
Average molar mass: 810.8 g/mol
Monoisotopic mass: 810.2384519

Overview

structure given in first source

Names & identifiers

Preferred name: 5'-O-(4,4'-dimethoxytrityl)thymidine-3'-O-(2,4-dinitrophenyl) succinate
IUPAC: 1-O-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-O-(2,4-dinitrophenyl) butanedioate
English name: 5'-O-(4,4'-dimethoxytrityl)thymidine-3'-O-(2,4-dinitrophenyl) succinate
Molecular formula: C41H38N4O14
Molecular weight: 810.76

Names & synonyms

DTDS125078-79-75'-O-(4,4'-Dimethoxytrityl)thymidine-3'-O-(2,4-dinitrophenyl) succinateDTXSID801546312,4-Dinitrophenyl 5'-O-(4,4'-dimethoxytrityl)thymidine succinateRefChem:100838DTXCID2077122SCHEMBL29360730Thymidine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, 3'-(2,4-dinitrophenyl butanedioate)5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[4-(2,4-dinitrophenoxy)-4-oxobutanoyl]thymidineThymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-, 3'-(2,4-dinitrophenyl butanedioate) (9CI)

Database identifiers

CAS: 125078-79-7
PubChem CID: 130348
DTXSID: DTXSID80154631

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 231 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 14
Rotatable bonds: 16
Heavy atoms: 59
Formal charge: 0
Complexity: 1,520

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