(Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol

C13H22O6 — CID 134855765

IUPAC(Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)C/C=C\CO
InChIInChI=1S/C13H22O6/c1-13(2)18-11-10(16-3)9(17-12(11)19-13)8(15)6-4-5-7-14/h4-5,8-12,14-15H,6-7H2,1-3H3/b5-4-/t8-,9-,10+,11-,12-/m1/s1
InChIKeyUOXMGIPLUQMDIL-UCOHZSOJSA-N
MW274.31 g/mol
LogP0.18
Rot. Bonds5

About (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol

(Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol (PubChem CID 134855765) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol.

Molecular Properties

Compound Name(Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol
PubChem CID134855765
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name(Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)C/C=C\CO
InChIInChI=1S/C13H22O6/c1-13(2)18-11-10(16-3)9(17-12(11)19-13)8(15)6-4-5-7-14/h4-5,8-12,14-15H,6-7H2,1-3H3/b5-4-/t8-,9-,10+,11-,12-/m1/s1
InChIKeyUOXMGIPLUQMDIL-UCOHZSOJSA-N
XLogP0.18
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol?
The IUPAC name of (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol (CID 134855765) is (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol.
What is the SMILES notation for (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol?
The canonical SMILES for (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol is CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)C/C=C\CO.
What is the InChIKey of (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol?
The InChIKey is UOXMGIPLUQMDIL-UCOHZSOJSA-N. The full InChI is InChI=1S/C13H22O6/c1-13(2)18-11-10(16-3)9(17-12(11)19-13)8(15)6-4-5-7-14/h4-5,8-12,14-15H,6-7H2,1-3H3/b5-4-/t8-,9-,10+,11-,12-/m1/s1.
What are the key properties of (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol?
(Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol has a molecular weight of 274.31 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol is sourced from PubChem (CID 134855765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).