BAS 00758994

Iupac Name：[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,
4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

CAS No.: 7277-98-7

Molecular Weight：607.352

Modify Date.: 2022-03-27 01:36

Request For Quotation

1. Names and Identifiers

1.1 Name: BAS 00758994
1.2 Synonyms: 2-((3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl)thio)-n-(4-nitrophenyl)acetamide 2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-n-(4-nitrophenyl)acetamide 2-[3-cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-n-(4-nitro-phenyl)-acetamide AK511364 AKOS000568340 MCULE-5335698939 ZINC6157022

1.3 CAS No.: 7277-98-7

1.4 CID: 23700

1.5 Molecular Formula: C₁₇H₂₅NO₂ (isomer)

1.6 Inchi: InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1

1.7 InChkey: LFTYTUAZOPRMMI-NESSUJCYSA-N

1.8 Canonical Smiles: CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O

1.9 Isomers Smiles: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O

2. Properties

3.1 Refractive index: 1.614

3.1 Precise Quality: 607.08200

3.1 PSA: 325.48000

3.1 logP: -4.25900

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available