Cas no 117604-19-0 (D-myo-Inositol,1-O-(2-amino-2-deoxy-a-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)- (9CI))
117604-19-0 structure
Product Name:D-myo-Inositol,1-O-(2-amino-2-deoxy-a-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)- (9CI)
CAS No:117604-19-0
MF:C13H25NO9
MW:339.338905096054
CID:186018
PubChem ID:3082862
Update Time:2025-04-19
D-myo-Inositol,1-O-(2-amino-2-deoxy-a-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-myo-Inositol,1-O-(2-amino-2-deoxy-a-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)- (9CI)
- ((1,2,4-3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl)2-amino-2-deoxy-alpha-glucopyranoside
- 4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)cyclohexane-1,2,3-triol
- 1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)-D-myo-inositol
- 2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl 2-amino-2-deoxyhexopyranoside
- D-myo-Inositol, 1-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)-
- THCAD
- 117604-19-0
- DTXSID60922471
-
- Inchi： 1S/C13H25NO9/c14-7-11(20)10(19)6(3-16)23-13(7)22-5-1-4(2-15)8(17)12(21)9(5)18/h4-13,15-21H,1-3,14H2
- InChI Key： WELHHIVEDVWEBG-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(C(CO)O1)O)O)N)C1C(C(C(C(CO)C1)O)O)O
Computed Properties
- Exact Mass: 339.15295
- Monoisotopic Mass: 339.153
- 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
- XLogP3: -3.8
- Topological Polar Surface Area: 186?2
Experimental Properties
- Density: 1.61
- Boiling Point: 614°Cat760mmHg
- Flash Point: 325.1°C
- Refractive Index: 1.641
- PSA: 186.09
D-myo-Inositol,1-O-(2-amino-2-deoxy-a-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)- (9CI) Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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