Thymidine,3',5'-dibenzoate supplier

Name
3',5'-DI-O-BENZOYLTHYMIDINE
EINECS 252-786-1
CAS No. 35898-30-7
Article Data23
CAS DataBase
Density 1.39 g/cm³
Solubility
Melting Point
Formula C₂₄H₂₂N₂O₇
Boiling Point
Molecular Weight 450.448
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3',5'-Di-O-benzoylthymidine;3',5'-Dibenzoylthymidine;
PSA 116.69000
LogP 2.21510

Thymidine,3',5'-dibenzoate Specification

The Thymidine,3',5'-dibenzoate is an organic compound with the formula C₂₄H₂₂N₂O₇. The IUPAC name of this chemical is [(2R,3S,5R)-3-Benzoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate. With the CAS registry number 35898-30-7, it is also named as 3',5'-Di-O-benzoylthymidine. Besides, its molecular weight is 450.44.

Physical properties about Thymidine,3',5'-dibenzoate are: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 3.8; (3)ACD/LogD (pH 7.4): 3.8; (4)#H bond acceptors: 9; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 8; (7)Polar Surface Area: 111.24 Å²; (8)Index of Refraction: 1.636; (9)Molar Refractivity: 115.78 cm³; (10)Molar Volume: 322.7 cm³; (11)Polarizability: 45.9×10^-24 cm³; (12)Surface Tension: 64.1 dyne/cm; (13)Density: 1.39 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4NC(=O)C(C)=CN4[C@H]3C[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c2ccccc2)O3
(2)InChI: InChI=1/C24H22N2O7/c1-15-13-26(24(30)25-21(15)27)20-12-18(33-23(29)17-10-6-3-7-11-17)19(32-20)14-31-22(28)16-8-4-2-5-9-16/h2-11,13,18-20H,12,14H2,1H3,(H,25,27,30)/t18-,19+,20+/m0/s1
(3)InChIKey: SNKWLBSAKXIYKF-XUVXKRRUBI
(4)Std. InChI: InChI=1S/C24H22N2O7/c1-15-13-26(24(30)25-21(15)27)20-12-18(33-23(29)17-10-6-3-7-11-17)19(32-20)14-31-22(28)16-8-4-2-5-9-16/h2-11,13,18-20H,12,14H2,1H3,(H,25,27,30)/t18-,19+,20+/m0/s1
(5)Std. InChIKey: SNKWLBSAKXIYKF-XUVXKRRUSA-N

Product Name

3',5'-DI-O-BENZOYLTHYMIDINE

Thymidine,3',5'-dibenzoate Specification

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