(2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide

C11H22NO7P — CID 23413490

IUPAC(2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide
SMILESCO[C@H]1O[C@@H]2CN(C)[P@@](=O)(OC)O[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C11H22NO7P/c1-12-6-7-8(19-20(12,13)17-5)9(14-2)10(15-3)11(16-4)18-7/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11+,20-/m1/s1
InChIKeyZIRCKKLZYBJYBR-AHBSQBMRSA-N
MW311.27 g/mol
LogP0.47
Rot. Bonds4

About (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide

(2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide (PubChem CID 23413490) has the molecular formula C11H22NO7P and a molecular weight of 311.27 g/mol. Its IUPAC name is (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide.

Molecular Properties

Compound Name(2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide
PubChem CID23413490
Molecular FormulaC11H22NO7P
Molecular Weight311.27 g/mol
Exact Mass311.11
IUPAC Name(2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide
SMILESCO[C@H]1O[C@@H]2CN(C)[P@@](=O)(OC)O[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C11H22NO7P/c1-12-6-7-8(19-20(12,13)17-5)9(14-2)10(15-3)11(16-4)18-7/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11+,20-/m1/s1
InChIKeyZIRCKKLZYBJYBR-AHBSQBMRSA-N
XLogP0.47
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide?
The IUPAC name of (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide (CID 23413490) is (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide.
What is the SMILES notation for (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide?
The canonical SMILES for (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide is CO[C@H]1O[C@@H]2CN(C)[P@@](=O)(OC)O[C@H]2[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide?
The InChIKey is ZIRCKKLZYBJYBR-AHBSQBMRSA-N. The full InChI is InChI=1S/C11H22NO7P/c1-12-6-7-8(19-20(12,13)17-5)9(14-2)10(15-3)11(16-4)18-7/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11+,20-/m1/s1.
What are the key properties of (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide?
(2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide has a molecular weight of 311.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7R,8R,8aR)-2,6,7,8-tetramethoxy-3-methyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3,2]oxazaphosphinine 2-oxide is sourced from PubChem (CID 23413490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).