35522-89-5
(3AS,5R,6S,6AS)-6-HYDROXY-2,2-DIMETHYLTETRAHYDROFURO[2,3-D][1,3]DIOXOLE-5-CARBOXYLIC ACID
Name(3AS,5R,6S,6AS)-6-HYDROXY-2,2-DIMETHYLTETRAHYDROFURO[2,3-D][1,3]DIOXOLE-5-CARBOXYLIC ACID
1Identification
【Name】
(3AS,5R,6S,6AS)-6-HYDROXY-2,2-DIMETHYLTETRAHYDROFURO[2,3-D][1,3]DIOXOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16877045
【English Synonyms】
【Formula】
C8 H12 O6
【MolWeight】
204.177
【Inchi】
InChI=1S/C8H12O6/c1-8(2)13-5-3(9)4(6(10)11)12-7(5)14-8/h3-5,7,9H,1-2H3,(H,10,11)/t3-,4-,5+,7+/m1/s1
【InChIKey】
InChIKey=YQQLEMAYGCQRAW-CXXDYQFHSA-N
【SMILES】
CC1(O[C@H]2[C@@H]([C@@H](O[C@H]2O1)C(=O)O)O)C
【MOL File】
(3AS,5R,6S,6AS)-6-HY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3AS,5R,6S,6AS)-6-HYDROXY-2,2-DIMETHYLTETRAHYDROFURO[2,3-D][1,3]DIOXOLE-5-CARBOXYLIC ACID.cml