(3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C14H25O7P — CID 14291642

IUPAC(3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCCOP(=O)(/C=C/[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21)OCC
InChIInChI=1S/C14H25O7P/c1-6-17-22(15,18-7-2)9-8-10-11-12(13(16-5)19-10)21-14(3,4)20-11/h8-13H,6-7H2,1-5H3/b9-8+/t10-,11-,12-,13-/m1/s1
InChIKeySBACWONMGXWCCE-ONXCYIBCSA-N
MW336.32 g/mol
LogP2.66
Rot. Bonds7

About (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 14291642) has the molecular formula C14H25O7P and a molecular weight of 336.32 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID14291642
Molecular FormulaC14H25O7P
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name(3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCCOP(=O)(/C=C/[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21)OCC
InChIInChI=1S/C14H25O7P/c1-6-17-22(15,18-7-2)9-8-10-11-12(13(16-5)19-10)21-14(3,4)20-11/h8-13H,6-7H2,1-5H3/b9-8+/t10-,11-,12-,13-/m1/s1
InChIKeySBACWONMGXWCCE-ONXCYIBCSA-N
XLogP2.66
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 14291642) is (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CCOP(=O)(/C=C/[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21)OCC.
What is the InChIKey of (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is SBACWONMGXWCCE-ONXCYIBCSA-N. The full InChI is InChI=1S/C14H25O7P/c1-6-17-22(15,18-7-2)9-8-10-11-12(13(16-5)19-10)21-14(3,4)20-11/h8-13H,6-7H2,1-5H3/b9-8+/t10-,11-,12-,13-/m1/s1.
What are the key properties of (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 336.32 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,6aR)-6-[(E)-2-diethoxyphosphorylethenyl]-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 14291642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).