(3S,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ol - CAS 252873-50-0

Name: (3S,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ol
Brand: BOC Sciences
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Catalog:	BB064264
Product Name:	(3S,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ol
CAS:	252873-50-0
Synonyms:	(3S,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ol; (3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol; (3S,3aS,6aR)-3-Hydroxyhexahydrofuro[2,3-b]furan

Technical Data

IUPAC Name:	(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
Description:	An intermediate in the preparation of HIV-1 Protease Inhibitor. An isomeric impurity of Bisfuranol.
Molecular Weight:	130.14
Molecular Formula:	C6H10O3
Canonical SMILES:	C1COC2C1C(CO2)O
InChI:	InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5+,6+/m0/s1
InChI Key:	RCDXYCHYMULCDZ-KVQBGUIXSA-N
References:	Surleraux, D.L. et al. 48, 1813 (2005); Ghosh, A.K. et al. J. Org. Chem., 69, 7822 (2004).

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	130.062994177
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.062994177
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4