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Home > Other Building Blocks > 86728-74-7
86728-74-7 | 2H-Pyran-2,3-diol,tetrahydro-
CAS No: 86728-74-7 Catalog No: AG004K8R MDL No:
Product Description
Catalog Number:
AG004K8R
Chemical Name:
2H-Pyran-2,3-diol,tetrahydro-
CAS Number:
86728-74-7
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
IUPAC Name:
oxane-2,3-diol
InChI:
InChI=1S/C5H10O3/c6-4-2-1-3-8-5(4)7/h4-7H,1-3H2
InChI Key:
MIAXJJCAIQVKPX-UHFFFAOYSA-N
SMILES:
OC1OCCCC1O
EC Number:
289-277-9
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Chisopanins A-K, 11 new protolimonoids from Chisocheton paniculatus and their anti-inflammatory activities. | Bioorganic & medicinal chemistry 20110215 |
| Comparative performance of MM3(92) and two TINKER MM3 versions for the modeling of carbohydrates. | Journal of computational chemistry 20050415 |
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