Cas no 106759-09-5 (b-D-Glucopyranoside, methyl2-(acetylamino)-2-deoxy-3-O-b-D-glucopyranuronosyl-)
106759-09-5 structure
Product Name:b-D-Glucopyranoside, methyl2-(acetylamino)-2-deoxy-3-O-b-D-glucopyranuronosyl-
CAS No:106759-09-5
MF:C15H25NO12
MW:411.358505964279
CID:153801
PubChem ID:194730
Update Time:2025-04-19
b-D-Glucopyranoside, methyl2-(acetylamino)-2-deoxy-3-O-b-D-glucopyranuronosyl- Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranoside, methyl2-(acetylamino)-2-deoxy-3-O-b-D-glucopyranuronosyl-
- methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside
- Menacglcua-glu
- methyl 2-(acetylamino)-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside
- Methyl 2-acetamido-2-deoxy-3-O-(beta-D-glucopyranosyluronic acid)-beta-D-glucopyranoside
- Methyl ADGAG
- DTXSID70910107
- 106759-09-5
- (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- Methyl 2-deoxy-3-O-hexopyranuronosyl-2-[(1-hydroxyethylidene)amino]hexopyranoside
-
- Inchi： 1S/C15H25NO12/c1-4(18)16-6-11(7(19)5(3-17)26-14(6)25-2)27-15-10(22)8(20)9(21)12(28-15)13(23)24/h5-12,14-15,17,19-22H,3H2,1-2H3,(H,16,18)(H,23,24)/t5-,6-,7-,8+,9+,10-,11-,12+,14-,15-/m1/s1
- InChI Key： QBCYMOTVOLDSJF-TUAGYZNYSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)[C@H]1[C@@H]([C@@H](CO)O[C@H]([C@@H]1NC(C)=O)OC)O
Computed Properties
- Exact Mass: 411.13765
- Monoisotopic Mass: 411.138
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 561
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.4
- Topological Polar Surface Area: 205?2
Experimental Properties
- Density: 1.61
- Boiling Point: 797°Cat760mmHg
- Flash Point: 435.8°C
- Refractive Index: 1.6
- PSA: 204.47
b-D-Glucopyranoside, methyl2-(acetylamino)-2-deoxy-3-O-b-D-glucopyranuronosyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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