Cas no 67772-76-3 ((1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one)
![(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one structure](https://ossimg.kuujia.com/scimg/68000/67772-76-3x500.png)
67772-76-3 structure
Product Name:(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one Chemical and Physical Properties
Names and Identifiers
-
- (1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
- 7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-, (1.α.,5.α.,6.α.)-
- Isoepoxydone
- (+)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
- (+)-epiepoxydon
- (+)-Epiepoxydone
- (+)-isoepoxydon
- (2R,3S,4S)-2,3-epoxy-4-hydroxy-6-hydroxymethyl-5-cyclohexen-1-one
- Epiepoxydon
- epiepoxydon 2
- Isoepoxydon
- 7-OXABICYCLO(4.1.0)HEPT-3-EN-2-ONE, 5-HYDROXY-3-(HYDROXYMETHYL)-, (1R,5S,6R)-
- PJ4PK27L5K
- NCI60_002828
- CHEBI:145109
- VTLJDPHPVHSVGR-JHYUDYDFSA-
- 5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2- en-1-one
- (4S,5R,6R)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one
- NSC-326233
- CHEMBL443078
- ISO-EPOXYDONE
- NSC326233
- (4R,5S,6S)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one
- EPOXYDON, EPI-
- (1R,5S,6R)-5-HYDROXY-3-(HYDROXYMETHYL)-7-OXABICYCLO(4.1.0)HEPT-3-EN-2-ONE
- InChI=1/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m0/s1
- 67772-76-3
- EPIEPOXYDONE
- SCHEMBL13612145
- ISOMER OF EPOXYDON 93049
-
- Inchi： 1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m0/s1
- InChI Key： VTLJDPHPVHSVGR-JHYUDYDFSA-N
- SMILES： O1[C@H]2C(C(CO)=C[C@@H]([C@@H]12)O)=O
Computed Properties
- Exact Mass: 156.04224
- Monoisotopic Mass: 156.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.1A^2
- XLogP3: -1.1
Experimental Properties
- Density: 1.567
- Boiling Point: 445.2°C at 760 mmHg
- Flash Point: 196.2°C
- Refractive Index: 1.617
- PSA: 70.06
- LogP: -1.38390
(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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