Cas no 796842-57-4 (b-D-Mannopyranoside,6-chloro-1H-indol-3-yl)
796842-57-4 structure
Product Name:b-D-Mannopyranoside,6-chloro-1H-indol-3-yl
CAS No:796842-57-4
MF:C14H16ClNO6
MW:329.732943534851
CID:556560
PubChem ID:22948610
Update Time:2025-04-19
b-D-Mannopyranoside,6-chloro-1H-indol-3-yl Chemical and Physical Properties
Names and Identifiers
-
- b-D-Mannopyranoside,6-chloro-1H-indol-3-yl
- 6-CHLORO-3-INDOXYL-BETA-D-MANNOPYRANOSIDE
- SCHEMBL1399590
- (2S,3S,4S,5S,6R)-2-(6-chloro-1H-indol-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
- (2S,3S,4S,5S,6R)-2-[(6-CHLORO-1H-INDOL-3-YL)OXY]-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
- 796842-57-4
-
- Inchi： 1S/C14H16ClNO6/c15-6-1-2-7-8(3-6)16-4-9(7)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11-,12+,13+,14-/m1/s1
- InChI Key： OQWBAXBVBGNSPW-PEBLQZBPSA-N
- SMILES： ClC1C=CC2=C(C=1)NC=C2O[C@H]1[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Exact Mass: 329.067
- Monoisotopic Mass: 329.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 388
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 115A^2
- XLogP3: 0.5
Experimental Properties
- PSA: 115.17000
b-D-Mannopyranoside,6-chloro-1H-indol-3-yl Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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