Cas no 136685-37-5 (D-xylo-Heptonic acid,3,7-anhydro-2,4-dideoxy-7-C-phenyl-, d-lactone, (7S)-)
136685-37-5 structure
Product Name:D-xylo-Heptonic acid,3,7-anhydro-2,4-dideoxy-7-C-phenyl-, d-lactone, (7S)-
CAS No:136685-37-5
MF:C13H14O4
MW:234.247864246368
CID:181163
PubChem ID:126233
Update Time:2025-04-19
D-xylo-Heptonic acid,3,7-anhydro-2,4-dideoxy-7-C-phenyl-, d-lactone, (7S)- Chemical and Physical Properties
Names and Identifiers
-
- D-xylo-Heptonic acid,3,7-anhydro-2,4-dideoxy-7-C-phenyl-, d-lactone, (7S)-
- (1R,3S,4S,5R)-4-hydroxy-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-7-one
- 9-Deoxygoniopypyrone
- (+)-9-Deoxygoniopypyrone
- (7S)-3,7-Anhydro-2,4-dideoxy-7-C-phenyl-D-xyloheptonic acid Delta-lactone
- [ "" ]
- AKOS032948943
- CHEMBL505003
- 136685-37-5
- D-Xylo-heptonic acid, 3,7-anhydro-2,4-dideoxy-7-C-phenyl-, delta-lactone, (7S)-
- D-xylo-Heptanoic acid, 3,7-anhydro-2,4-dideoxy-7-C-phenyl-, delta-lactone, (7S)-
- FS-8613
- (1R,5R,7S,8S)-8-HYDROXY-7-PHENYL-2,6-DIOXABICYCLO[3.3.1]NONAN-3-ONE
- (1R,3S,4S,5R)-4-hydroxy-3-phenyl-2,6-dioxabicyclo(3.3.1)nonan-7-one
- (1R,5R,7S,8S)-8-hydroxy-7-phenyl-2,6-dioxabicyclo(3.3.1)nonan-3-one
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- Inchi： 1S/C13H14O4/c14-11-7-9-6-10(17-11)12(15)13(16-9)8-4-2-1-3-5-8/h1-5,9-10,12-13,15H,6-7H2/t9-,10-,12+,13+/m1/s1
- InChI Key： ZPVLUTBGTWEMGV-AAXDQBDMSA-N
- SMILES： O1[C@@H](C2C=CC=CC=2)[C@H]([C@H]2C[C@@H]1CC(=O)O2)O
Computed Properties
- Exact Mass: 234.08900
- Monoisotopic Mass: 234.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 298
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.8A^2
- XLogP3: 0.9
Experimental Properties
- Color/Form: Cryst.
- Density: 1.3±0.1 g/cm3
- Boiling Point: 476.9±45.0 °C at 760 mmHg
- Flash Point: 189.2±22.2 °C
- Refractive Index: 1.575
- PSA: 55.76000
- LogP: 1.19300
- Vapor Pressure: 0.0±1.3 mmHg at 25°C
D-xylo-Heptonic acid,3,7-anhydro-2,4-dideoxy-7-C-phenyl-, d-lactone, (7S)- Security Information
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at 4 ℃, better at -4 ℃
D-xylo-Heptonic acid,3,7-anhydro-2,4-dideoxy-7-C-phenyl-, d-lactone, (7S)- Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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