Cas no 104932-60-7 (b-D-Glucopyranoside, phenyl,6-(hydrogen propanedioate) (9CI))
104932-60-7 structure
Product Name:b-D-Glucopyranoside, phenyl,6-(hydrogen propanedioate) (9CI)
CAS No:104932-60-7
MF:C15H18O9
MW:342.298025608063
CID:151640
PubChem ID:128708
Update Time:2025-04-19
b-D-Glucopyranoside, phenyl,6-(hydrogen propanedioate) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranoside, phenyl,6-(hydrogen propanedioate) (9CI)
- 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]propanoic acid
- 4-phenyl-6-O-malonylglucoside
- 4-Phenyl-6-O-malonyl-beta-D-glucopyranoside
- beta-D-Glucopyranoside, phenyl, 6-(hydrogen propanedioate)
- phenyl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
- DTXSID10146842
- 104932-60-7
-
- Inchi： 1S/C15H18O9/c16-10(17)6-11(18)22-7-9-12(19)13(20)14(21)15(24-9)23-8-4-2-1-3-5-8/h1-5,9,12-15,19-21H,6-7H2,(H,16,17)/t9-,12-,13+,14-,15-/m1/s1
- InChI Key： WROCAMQDRXZFKS-SWMGHYKJSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(CC(=O)O)=O)O)O)O)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 342.09504
- Monoisotopic Mass: 342.095082
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 435
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 143
Experimental Properties
- Density: 1.51
- Boiling Point: 605.2°Cat760mmHg
- Flash Point: 224.8°C
- Refractive Index: 1.601
- PSA: 142.75
- LogP: -1.10910
b-D-Glucopyranoside, phenyl,6-(hydrogen propanedioate) (9CI) Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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