2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol

C10H18O7 — CID 163497744

IUPAC2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol
SMILESOC1COC2C(O)COC12.OC1COCC1O
InChIInChI=1S/C6H10O4.C4H8O3/c7-3-1-9-6-4(8)2-10-5(3)6;5-3-1-7-2-4(3)6/h3-8H,1-2H2;3-6H,1-2H2
InChIKeyCSDNDLMVPAJHBJ-UHFFFAOYSA-N
MW250.25 g/mol
LogP-2.76
Rot. Bonds

About 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol (PubChem CID 163497744) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol.

Molecular Properties

Compound Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol
PubChem CID163497744
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol
SMILESOC1COC2C(O)COC12.OC1COCC1O
InChIInChI=1S/C6H10O4.C4H8O3/c7-3-1-9-6-4(8)2-10-5(3)6;5-3-1-7-2-4(3)6/h3-8H,1-2H2;3-6H,1-2H2
InChIKeyCSDNDLMVPAJHBJ-UHFFFAOYSA-N
XLogP-2.76
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-2.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol with MolForge

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Related Compounds

(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120
(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 126688683
(3S,3aR,6S,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59170536
(3R,3aS,6R,6aS)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59488082
[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate
CID 88891348
(3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 163508504
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene
CID 66760272
(3R,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-carboxylic acid
CID 78427034
(3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 134550950
(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 169116609
(3S,3aS,6S,6aS)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 167164365

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol?
The IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol (CID 163497744) is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol.
What is the SMILES notation for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol?
The canonical SMILES for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol is OC1COC2C(O)COC12.OC1COCC1O.
What is the InChIKey of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol?
The InChIKey is CSDNDLMVPAJHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H8O3/c7-3-1-9-6-4(8)2-10-5(3)6;5-3-1-7-2-4(3)6/h3-8H,1-2H2;3-6H,1-2H2.
What are the key properties of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol?
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol has a molecular weight of 250.25 g/mol, XLogP of -2.76, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol is sourced from PubChem (CID 163497744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).