N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine

C26H28NO5P — CID 134970009

IUPACN-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
SMILESCOC1CC(NP(=O)(c2ccccc2)c2ccccc2)C2OC(c3ccccc3)OCC2O1
InChIInChI=1S/C26H28NO5P/c1-29-24-17-22(25-23(31-24)18-30-26(32-25)19-11-5-2-6-12-19)27-33(28,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-26H,17-18H2,1H3,(H,27,28)
InChIKeyPQFADRUYOPYHTM-UHFFFAOYSA-N
MW465.49 g/mol
LogP3.75
Rot. Bonds6

About N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine

N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine (PubChem CID 134970009) has the molecular formula C26H28NO5P and a molecular weight of 465.49 g/mol. Its IUPAC name is N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
PubChem CID134970009
Molecular FormulaC26H28NO5P
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC NameN-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
SMILESCOC1CC(NP(=O)(c2ccccc2)c2ccccc2)C2OC(c3ccccc3)OCC2O1
InChIInChI=1S/C26H28NO5P/c1-29-24-17-22(25-23(31-24)18-30-26(32-25)19-11-5-2-6-12-19)27-33(28,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-26H,17-18H2,1H3,(H,27,28)
InChIKeyPQFADRUYOPYHTM-UHFFFAOYSA-N
XLogP3.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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CID 91937256
6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
CID 326201
sodium [[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2,5-bis(phenylmethoxy)oxan-3-yl]amino]-methylphosphinate
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Uoxlcnzvjydkil-salivdarsa-
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(2R,4aS,7R,8R,8aS)-8-azido-6-fluoro-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934465
(2R,4aS,6S,7S,8R,8aS)-8-azido-7-fluoro-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934720
7-Amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 4304470
Benzyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside
CID 11002820
(6S,8aS)-7-azido-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134831994
(3r,4r,5s,6r)-2,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2h-pyran-3-amine hydrochloride
CID 162737026

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine?
The IUPAC name of N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine (CID 134970009) is N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine.
What is the SMILES notation for N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine?
The canonical SMILES for N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine is COC1CC(NP(=O)(c2ccccc2)c2ccccc2)C2OC(c3ccccc3)OCC2O1.
What is the InChIKey of N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine?
The InChIKey is PQFADRUYOPYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28NO5P/c1-29-24-17-22(25-23(31-24)18-30-26(32-25)19-11-5-2-6-12-19)27-33(28,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-26H,17-18H2,1H3,(H,27,28).
What are the key properties of N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine?
N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine has a molecular weight of 465.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine is sourced from PubChem (CID 134970009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).