N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine

C23H32NO8P — CID 10983685

IUPACN-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine
SMILESCOC[C@H]1O[C@H](CNP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C23H32NO8P/c1-26-16-20-22(28-3)23(29-4)21(27-2)19(30-20)15-24-33(25,31-17-11-7-5-8-12-17)32-18-13-9-6-10-14-18/h5-14,19-23H,15-16H2,1-4H3,(H,24,25)/t19-,20-,21-,22-,23-/m1/s1
InChIKeyYLWORPGDTXEAEL-GNJRFXKQSA-N
MW481.48 g/mol
LogP3.30
Rot. Bonds12

About N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine

N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine (PubChem CID 10983685) has the molecular formula C23H32NO8P and a molecular weight of 481.48 g/mol. Its IUPAC name is N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine.

Molecular Properties

Compound NameN-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine
PubChem CID10983685
Molecular FormulaC23H32NO8P
Molecular Weight481.48 g/mol
Exact Mass481.19
IUPAC NameN-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine
SMILESCOC[C@H]1O[C@H](CNP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C23H32NO8P/c1-26-16-20-22(28-3)23(29-4)21(27-2)19(30-20)15-24-33(25,31-17-11-7-5-8-12-17)32-18-13-9-6-10-14-18/h5-14,19-23H,15-16H2,1-4H3,(H,24,25)/t19-,20-,21-,22-,23-/m1/s1
InChIKeyYLWORPGDTXEAEL-GNJRFXKQSA-N
XLogP3.30
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine
CID 102325605
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane
CID 59847084
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
2-[3-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]propoxy]isoindole-1,3-dione
CID 102409191
(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane
CID 102307527
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
(2S,3R,4S,5S,6R)-3-(4-aminophenoxy)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol
CID 171122762
1-[(3R,4S,5R)-5-[(diphenoxyphosphorylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 162481982
N-diphenoxyphosphoryl-2-phenylethanamine
CID 26793774
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866

Frequently Asked Questions

What is the IUPAC name of N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine?
The IUPAC name of N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine (CID 10983685) is N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine.
What is the SMILES notation for N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine?
The canonical SMILES for N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine is COC[C@H]1O[C@H](CNP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine?
The InChIKey is YLWORPGDTXEAEL-GNJRFXKQSA-N. The full InChI is InChI=1S/C23H32NO8P/c1-26-16-20-22(28-3)23(29-4)21(27-2)19(30-20)15-24-33(25,31-17-11-7-5-8-12-17)32-18-13-9-6-10-14-18/h5-14,19-23H,15-16H2,1-4H3,(H,24,25)/t19-,20-,21-,22-,23-/m1/s1.
What are the key properties of N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine?
N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine has a molecular weight of 481.48 g/mol, XLogP of 3.30, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine is sourced from PubChem (CID 10983685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).