diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane

C29H41N2O8P — CID 11365196

IUPACdiazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane
SMILESCO[C@H]1O[C@H](CCP(=O)([O-])[O-])[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.[NH4+].[NH4+]
InChIInChI=1S/C29H35O8P.2H3N/c1-33-29-28(36-21-24-15-9-4-10-16-24)27(35-20-23-13-7-3-8-14-23)26(25(37-29)17-18-38(30,31)32)34-19-22-11-5-2-6-12-22;;/h2-16,25-29H,17-21H2,1H3,(H2,30,31,32);2*1H3/t25-,26-,27+,28+,29+;;/m1../s1
InChIKeyGLEGNNSCHIGZMP-HDGCMEGASA-N
MW576.63 g/mol
LogP4.17
Rot. Bonds13

About diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane

diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane (PubChem CID 11365196) has the molecular formula C29H41N2O8P and a molecular weight of 576.63 g/mol. Its IUPAC name is diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane.

Molecular Properties

Compound Namediazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane
PubChem CID11365196
Molecular FormulaC29H41N2O8P
Molecular Weight576.63 g/mol
Exact Mass576.26
IUPAC Namediazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane
SMILESCO[C@H]1O[C@H](CCP(=O)([O-])[O-])[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.[NH4+].[NH4+]
InChIInChI=1S/C29H35O8P.2H3N/c1-33-29-28(36-21-24-15-9-4-10-16-24)27(35-20-23-13-7-3-8-14-23)26(25(37-29)17-18-38(30,31)32)34-19-22-11-5-2-6-12-22;;/h2-16,25-29H,17-21H2,1H3,(H2,30,31,32);2*1H3/t25-,26-,27+,28+,29+;;/m1../s1
InChIKeyGLEGNNSCHIGZMP-HDGCMEGASA-N
XLogP4.17
TPSA182.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.63
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane with MolForge

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Related Compounds

2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid
CID 100978536
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl [(2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl] hydrogen phosphate
CID 101040386
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane
CID 132597287
2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetonitrile
CID 135027342

Frequently Asked Questions

What is the IUPAC name of diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane?
The IUPAC name of diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane (CID 11365196) is diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane.
What is the SMILES notation for diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane?
The canonical SMILES for diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane is CO[C@H]1O[C@H](CCP(=O)([O-])[O-])[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.[NH4+].[NH4+].
What is the InChIKey of diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane?
The InChIKey is GLEGNNSCHIGZMP-HDGCMEGASA-N. The full InChI is InChI=1S/C29H35O8P.2H3N/c1-33-29-28(36-21-24-15-9-4-10-16-24)27(35-20-23-13-7-3-8-14-23)26(25(37-29)17-18-38(30,31)32)34-19-22-11-5-2-6-12-22;;/h2-16,25-29H,17-21H2,1H3,(H2,30,31,32);2*1H3/t25-,26-,27+,28+,29+;;/m1../s1.
What are the key properties of diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane?
diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane has a molecular weight of 576.63 g/mol, XLogP of 4.17, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane is sourced from PubChem (CID 11365196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).