(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate（CAS号：915095-99-7）

(1S)-1,5-脱水-2,3,4,6-四-O-乙酰基-1-C-[4-氯-3-[[4-[[(3S)-四氢呋喃-3-基]氧基]苯基]甲基]苯基]-D-葡萄糖醇

基本信息

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CAS号

915095-99-7

分子式

C31H35ClO11

分子量

619.06 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

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CC(=O)OCC1C(C(C(C(O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)OC4CCOC4)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H35ClO11/c1-17(33)38-16-27-29(39-18(2)34)31(41-20(4)36)30(40-19(3)35)28(43-27)22-7-10-26(32)23(14-22)13-21-5-8-24(9-6-21)42-25-11-12-37-15-25/h5-10,14,25,27-31H,11-13,15-16H2,1-4H3/t25-,27+,28-,29+,30-,31-/m0/s1

InChIKey

IVTYEGRDCQLUJE-KTUPMIEBSA-N

LogP

3.896600000000003

拓扑极性表面积

132.89000000000004 Å²

氢键供体/受体

0 / 11

复杂度

967

同义词与引用数据

英文

(1S)-1,5-anhydro-2,3,4,6-tetra-O-acteyl-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydrofu-ran-3-yl]oxy]phenyl] methyl]phenyl]-D-Glucitol
Acetoxy Empagliflozin
BCP17275
[(2R,4R)-3,4,5-Triacetyloxy-6-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]oxan-2-yl]methyl
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, tetraacetate, (1S)- (9CI)
Peracetyl Empagliflozin
(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]-phenyl]methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)-
D5AR7LVU55
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, tetraacetate, (1S)-
[(2R,3R,4R,5S,6S)-3,4,5-Triacetyloxy-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxan-2-yl]methyl acetate
SCHEMBL1714371
ZB1712
(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-te; Trahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
(1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucito
BS-51344
F71486
Peracetyl Empagliflozin; D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)- (ACI); D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, tetraacetate, (1S)-
PeracetylEmpagliflozin
(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyltriacetate
915095-99-7