[5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol

C28H30NO5P — CID 15254887

IUPAC[5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
SMILESC[C@@H](N[C@@H](c1ccc(CO)o1)P(=O)(OCc1ccccc1)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H30NO5P/c1-22(25-15-9-4-10-16-25)29-28(27-18-17-26(19-30)34-27)35(31,32-20-23-11-5-2-6-12-23)33-21-24-13-7-3-8-14-24/h2-18,22,28-30H,19-21H2,1H3/t22-,28-/m1/s1
InChIKeyZUIMRMQBFJXGJV-SKCUWOTOSA-N
MW491.52 g/mol
LogP6.75
Rot. Bonds12

About [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol

[5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol (PubChem CID 15254887) has the molecular formula C28H30NO5P and a molecular weight of 491.52 g/mol. Its IUPAC name is [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
PubChem CID15254887
Molecular FormulaC28H30NO5P
Molecular Weight491.52 g/mol
Exact Mass491.19
IUPAC Name[5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
SMILESC[C@@H](N[C@@H](c1ccc(CO)o1)P(=O)(OCc1ccccc1)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H30NO5P/c1-22(25-15-9-4-10-16-25)29-28(27-18-17-26(19-30)34-27)35(31,32-20-23-11-5-2-6-12-23)33-21-24-13-7-3-8-14-24/h2-18,22,28-30H,19-21H2,1H3/t22-,28-/m1/s1
InChIKeyZUIMRMQBFJXGJV-SKCUWOTOSA-N
XLogP6.75
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.52
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
CID 135004441
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 69303198
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
CID 5470783
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
methyl 4-[bis(phenylmethoxy)phosphoryl-hydroxymethyl]benzoate
CID 102186420
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
benzyl N-[1-bis(phenylmethoxy)phosphoryl-3-methylbutyl]carbamate
CID 15855202
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721

Frequently Asked Questions

What is the IUPAC name of [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol (CID 15254887) is [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol is C[C@@H](N[C@@H](c1ccc(CO)o1)P(=O)(OCc1ccccc1)OCc1ccccc1)c1ccccc1.
What is the InChIKey of [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is ZUIMRMQBFJXGJV-SKCUWOTOSA-N. The full InChI is InChI=1S/C28H30NO5P/c1-22(25-15-9-4-10-16-25)29-28(27-18-17-26(19-30)34-27)35(31,32-20-23-11-5-2-6-12-23)33-21-24-13-7-3-8-14-24/h2-18,22,28-30H,19-21H2,1H3/t22-,28-/m1/s1.
What are the key properties of [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol?
[5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 491.52 g/mol, XLogP of 6.75, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 15254887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).