1,4a,5,7a-Tetrahydro-1-hydroxy-7-(hydroxymethyl)-cyclopenta(c)pyran-4-carboxylic acid methyl ester

CAS	6902-77-8
Structure
Synonyms	Cyclopenta(c)pyran-4-carboxylicacid,1,4a-alpha,5,7a-alpha-tetrahydro-1-hydrox
IUPAC Name	Methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Weight	226.26
Molecular Formula	C11H14O5
Canonical SMILES	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O
InChI	InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
InChI Key	AZKVWQKMDGGDSV-BCMRRPTOSA-N
Boiling Point	287.83 °C
Melting Point	118-123 °C
Purity	98%
Density	1.123 g/ml
pKa	12.06±0.60
Appearance	White powder