Cas no 14215-79-3 (a-D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]-)
![a-D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]- structure](https://ossimg.kuujia.com/scimg/14500/14215-79-3x500.png)
14215-79-3 structure
Product Name:a-D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]-
CAS No:14215-79-3
MF:C9H17NO6
MW:235.23438334465
CID:236605
PubChem ID:166993
Update Time:2024-03-01
a-D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- a-D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]-
- (4aR,7S,7aR,12bS)-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7,9-diol,iodide
- α-D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]-
-
- Inchi： 1S/C9H17NO6/c1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)/t4-,6-,7-,8-,9+/m1/s1
- InChI Key： RTEOJYOKWPEKKN-BTZCVUIRSA-N
- SMILES： N([C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O)C(=O)CC
Computed Properties
- Exact Mass: 235.10561
- Monoisotopic Mass: 235.105587
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.2
- Topological Polar Surface Area: 119
Experimental Properties
- Density: 1.44
- Boiling Point: 585.3°Cat760mmHg
- Flash Point: 307.8°C
- Refractive Index: 1.565
- PSA: 119.25
- LogP: -2.29660
- pka: 12.08±0.70(Predicted)
a-D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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