Cas no 131063-65-5 (D-chiro-Inositol,2-amino-2,5,6-trideoxy-1-O-a-D-glucopyranosyl-5-(hydroxymethyl)- (9CI))
131063-65-5 structure
Product Name:D-chiro-Inositol,2-amino-2,5,6-trideoxy-1-O-a-D-glucopyranosyl-5-(hydroxymethyl)- (9CI)
CAS No:131063-65-5
MF:C13H25NO9
MW:339.338905096054
CID:169137
PubChem ID:125445
Update Time:2025-04-19
D-chiro-Inositol,2-amino-2,5,6-trideoxy-1-O-a-D-glucopyranosyl-5-(hydroxymethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-chiro-Inositol,2-amino-2,5,6-trideoxy-1-O-a-D-glucopyranosyl-5-(hydroxymethyl)- (9CI)
- (2-amino-3,4-dihydroxy-5-hydroxymethyl-1-cyclohexyl)glucopyranoside
- 2-[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- (2-Amino-3,4-dihydroxy-hydroxymethyl-1-cyclohexyl)glucopyranoside
- 2-Adhmcg
- 2-Amino-2,5,6-trideoxy-1-O-alpha-D-glucopyranosyl-5-(hydroxymethyl)-D-chiro-inositol
- 2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl hexopyranoside
- D-chiro-Inositol, 2-amino-2,5,6-trideoxy-1-O-alpha-D-glucopyranosyl-5-(hydroxymethyl)-
- 131063-65-5
- DTXSID30927059
-
- Inchi： 1S/C13H25NO9/c14-7-5(1-4(2-15)8(17)10(7)19)22-13-12(21)11(20)9(18)6(3-16)23-13/h4-13,15-21H,1-3,14H2
- InChI Key： LTKGFEPXGILMIP-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(C(CO)O1)O)O)O)C1CC(CO)C(C(C1N)O)O
Computed Properties
- Exact Mass: 339.15295
- Monoisotopic Mass: 339.152931
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 387
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 186
- XLogP3: -3.8
Experimental Properties
- Density: 1.61
- Boiling Point: 620.5°Cat760mmHg
- Flash Point: 329.1°C
- Refractive Index: 1.641
- PSA: 186.09
D-chiro-Inositol,2-amino-2,5,6-trideoxy-1-O-a-D-glucopyranosyl-5-(hydroxymethyl)- (9CI) Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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