Home Other Building Blocks β-L-Idofuranuronic acid, 1,2-O-(1-methylethylidene)-, γ-lactone

β-L-Idofuranuronic acid, 1,2-O-(1-methylethylidene)-, γ-lactone

CAS No.:
29514-28-1
Catalog Number:
AG002YMO
Molecular Formula:
C9H12O6
Molecular Weight:
216.1880
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Product Description
Catalog Number:
AG002YMO
Chemical Name:
β-L-Idofuranuronic acid, 1,2-O-(1-methylethylidene)-, γ-lactone
CAS Number:
29514-28-1
Molecular Formula:
C9H12O6
Molecular Weight:
216.1880
MDL Number:
MFCD08461814
IUPAC Name:
(1S,2R,6R,8R,9R)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
InChI:
InChI=1S/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3/t3-,4-,5+,6-,8-/m1/s1
InChI Key:
BDBGJSXZKMTMGP-QOHYDMMQSA-N
SMILES:
O[C@H]1C(=O)O[C@H]2[C@@H]1O[C@H]1[C@@H]2OC(O1)(C)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
216.063g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.189g/mol
Monoisotopic Mass:
216.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties