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76548-27-1 | 2,3-O-Carbonyl-α-D-mannopyranose
CAS No: 76548-27-1 Catalog No: AG005KH5 MDL No:
Product Description
Catalog Number:
AG005KH5
Chemical Name:
2,3-O-Carbonyl-α-D-mannopyranose
CAS Number:
76548-27-1
Molecular Formula:
C7H10O7
Molecular Weight:
206.1501
IUPAC Name:
(3aR,4S,7R)-4,7-dihydroxy-6-(hydroxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
InChI:
InChI=1S/C7H10O7/c8-1-2-3(9)4-5(6(10)12-2)14-7(11)13-4/h2-6,8-10H,1H2/t2?,3-,4?,5-,6+/m1/s1
InChI Key:
DUPSKQDMZPNHOX-ZUEQSLHLSA-N
SMILES:
OCC1O[C@H](O)[C@H]2C([C@@H]1O)OC(=O)O2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
206.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.15g/mol
Monoisotopic Mass:
206.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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