(8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol

C8H14O4P2 — CID 59034641

IUPAC(8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCP(P)C1OCC2OC=CC(O)[C@H]2O1
InChIInChI=1S/C8H14O4P2/c1-14(13)8-11-4-6-7(12-8)5(9)2-3-10-6/h2-3,5-9H,4,13H2,1H3/t5?,6?,7-,8?,14?/m1/s1
InChIKeyMXZTWLOEBKFQIG-LSMHKWAJSA-N
MW236.14 g/mol
LogP0.86
Rot. Bonds1

About (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol

(8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 59034641) has the molecular formula C8H14O4P2 and a molecular weight of 236.14 g/mol. Its IUPAC name is (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID59034641
Molecular FormulaC8H14O4P2
Molecular Weight236.14 g/mol
Exact Mass236.04
IUPAC Name(8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCP(P)C1OCC2OC=CC(O)[C@H]2O1
InChIInChI=1S/C8H14O4P2/c1-14(13)8-11-4-6-7(12-8)5(9)2-3-10-6/h2-3,5-9H,4,13H2,1H3/t5?,6?,7-,8?,14?/m1/s1
InChIKeyMXZTWLOEBKFQIG-LSMHKWAJSA-N
XLogP0.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 59034641) is (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol is CP(P)C1OCC2OC=CC(O)[C@H]2O1.
What is the InChIKey of (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is MXZTWLOEBKFQIG-LSMHKWAJSA-N. The full InChI is InChI=1S/C8H14O4P2/c1-14(13)8-11-4-6-7(12-8)5(9)2-3-10-6/h2-3,5-9H,4,13H2,1H3/t5?,6?,7-,8?,14?/m1/s1.
What are the key properties of (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol?
(8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 236.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[methyl(phosphanyl)phosphanyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 59034641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).