2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol

C16H24O7 — CID 78075015

IUPAC2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol
SMILESC=C1COC2(COC3OC(CO)C(O)C(O)C3O)C(C)=CCC12
InChIInChI=1S/C16H24O7/c1-8-6-22-16(9(2)3-4-10(8)16)7-21-15-14(20)13(19)12(18)11(5-17)23-15/h3,10-15,17-20H,1,4-7H2,2H3
InChIKeyBXZYVDAASBLBQM-UHFFFAOYSA-N
MW328.36 g/mol
LogP-0.91
Rot. Bonds4

About 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol (PubChem CID 78075015) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol
PubChem CID78075015
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol
SMILESC=C1COC2(COC3OC(CO)C(O)C(O)C3O)C(C)=CCC12
InChIInChI=1S/C16H24O7/c1-8-6-22-16(9(2)3-4-10(8)16)7-21-15-14(20)13(19)12(18)11(5-17)23-15/h3,10-15,17-20H,1,4-7H2,2H3
InChIKeyBXZYVDAASBLBQM-UHFFFAOYSA-N
XLogP-0.91
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol (CID 78075015) is 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol is C=C1COC2(COC3OC(CO)C(O)C(O)C3O)C(C)=CCC12.
What is the InChIKey of 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol?
The InChIKey is BXZYVDAASBLBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O7/c1-8-6-22-16(9(2)3-4-10(8)16)7-21-15-14(20)13(19)12(18)11(5-17)23-15/h3,10-15,17-20H,1,4-7H2,2H3.
What are the key properties of 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol has a molecular weight of 328.36 g/mol, XLogP of -0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[(6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl)methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 78075015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).