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

C8H14O5 — CID 134857231

IUPAC(3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol
SMILESCOC1O[C@@H]2[C@H](O)CC[C@]2(O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-12-7-5(10)8(11)3-2-4(9)6(8)13-7/h4-7,9-11H,2-3H2,1H3/t4-,5+,6-,7?,8+/m1/s1
InChIKeyWKAIGFZWEJBZMN-CCFNYPOFSA-N
MW190.19 g/mol
LogP-1.40
Rot. Bonds1

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

(3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol (PubChem CID 134857231) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol.

Molecular Properties

Compound Name(3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol
PubChem CID134857231
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol
SMILESCOC1O[C@@H]2[C@H](O)CC[C@]2(O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-12-7-5(10)8(11)3-2-4(9)6(8)13-7/h4-7,9-11H,2-3H2,1H3/t4-,5+,6-,7?,8+/m1/s1
InChIKeyWKAIGFZWEJBZMN-CCFNYPOFSA-N
XLogP-1.40
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol 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
(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,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 45114003
(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 (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol?
The IUPAC name of (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol (CID 134857231) is (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol.
What is the SMILES notation for (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol?
The canonical SMILES for (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol is COC1O[C@@H]2[C@H](O)CC[C@]2(O)[C@H]1O.
What is the InChIKey of (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol?
The InChIKey is WKAIGFZWEJBZMN-CCFNYPOFSA-N. The full InChI is InChI=1S/C8H14O5/c1-12-7-5(10)8(11)3-2-4(9)6(8)13-7/h4-7,9-11H,2-3H2,1H3/t4-,5+,6-,7?,8+/m1/s1.
What are the key properties of (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol?
(3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol has a molecular weight of 190.19 g/mol, XLogP of -1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol is sourced from PubChem (CID 134857231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).