(2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol

C8H14O4 — CID 45114003

IUPAC(2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
SMILESCO[C@H]1C[C@@]2(O)CC[C@@H](O)[C@H]2O1
InChIInChI=1S/C8H14O4/c1-11-6-4-8(10)3-2-5(9)7(8)12-6/h5-7,9-10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKeyBQZPETHCZHVXHX-XUTVFYLZSA-N
MW174.20 g/mol
LogP-0.37
Rot. Bonds1

About (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol

(2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol (PubChem CID 45114003) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol.

Molecular Properties

Compound Name(2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
PubChem CID45114003
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
SMILESCO[C@H]1C[C@@]2(O)CC[C@@H](O)[C@H]2O1
InChIInChI=1S/C8H14O4/c1-11-6-4-8(10)3-2-5(9)7(8)12-6/h5-7,9-10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKeyBQZPETHCZHVXHX-XUTVFYLZSA-N
XLogP-0.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol with MolForge

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Related Compounds

Heliconol A
CID 11845120
Heliconol B
CID 11845122
(4R,6R)-5,5-difluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
CID 146169015
(3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol
CID 134857231
(2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
CID 71114063
(3aS,4R,5R,6aS)-5-(hydroxymethyl)-2,2-dimethyl-4-(trifluoromethyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
CID 137495654
(2R,3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol
CID 102174495
(4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol
CID 134832532
[(4R,6S)-6-hydroxy-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-yl]methyl acetate
CID 134856258
(3aR,4S,5S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 134888901
(5R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 134974476
(3aS,4R,6R,6aS)-2,2-dimethyl-4-(trifluoromethyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4,6-diol
CID 101377345

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The IUPAC name of (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol (CID 45114003) is (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol.
What is the SMILES notation for (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The canonical SMILES for (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol is CO[C@H]1C[C@@]2(O)CC[C@@H](O)[C@H]2O1.
What is the InChIKey of (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The InChIKey is BQZPETHCZHVXHX-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-6-4-8(10)3-2-5(9)7(8)12-6/h5-7,9-10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
(2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol has a molecular weight of 174.20 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol is sourced from PubChem (CID 45114003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).