(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C7H10O5 — CID 10241281

IUPAC(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCOC1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O
InChIInChI=1S/C7H10O5/c1-10-7-5(9)6-3(11-7)2-4(8)12-6/h3,5-7,9H,2H2,1H3/t3-,5-,6+,7?/m1/s1
InChIKeyAOZCKCAUSSMZIP-ZCJUSREXSA-N
MW174.15 g/mol
LogP-0.97
Rot. Bonds1

About (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 10241281) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID10241281
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCOC1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O
InChIInChI=1S/C7H10O5/c1-10-7-5(9)6-3(11-7)2-4(8)12-6/h3,5-7,9H,2H2,1H3/t3-,5-,6+,7?/m1/s1
InChIKeyAOZCKCAUSSMZIP-ZCJUSREXSA-N
XLogP-0.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,3aS,6aS)-3-hydroxy-2-(hydroxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11148015
(1R,3S,4R,5R)-3-methoxy-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 102212263
(1S,3R,4S,5S,8S)-3-methoxy-2,6-dioxabicyclo[3.2.1]octane-4,8-diol
CID 124680546
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399
(3aS,4R,6R,7R,7aR)-7-hydroxy-4-(hydroxymethyl)-6-methoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 15690739
(2R,3S,3aR,6aR)-2-benzyl-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 46897991
(2R,3S,3aS,6aR)-2-[(S)-hydroxy(phenyl)methyl]-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 155549237
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol
CID 552297
(2R,3S,3aS,6aS)-3-hydroxy-2-[(R)-hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10083438
(1S,5R,7R,8R,9S)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 124581711
(4aR,6S,7R,8R,8aR)-6-methoxy-2-(2,3,4,5,6-pentafluorophenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 101272898

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 10241281) is (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is COC1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O.
What is the InChIKey of (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is AOZCKCAUSSMZIP-ZCJUSREXSA-N. The full InChI is InChI=1S/C7H10O5/c1-10-7-5(9)6-3(11-7)2-4(8)12-6/h3,5-7,9H,2H2,1H3/t3-,5-,6+,7?/m1/s1.
What are the key properties of (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 174.15 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 10241281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).