[(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol

C13H20NO5P — CID 118136180

IUPAC[(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol
SMILESCOP(N)(=O)O[C@H]1C[C@H](Cc2ccccc2)O[C@@H]1CO
InChIInChI=1S/C13H20NO5P/c1-17-20(14,16)19-12-8-11(18-13(12)9-15)7-10-5-3-2-4-6-10/h2-6,11-13,15H,7-9H2,1H3,(H2,14,16)/t11-,12-,13+,20?/m0/s1
InChIKeyGRAZMTPIMWGSCD-DJDVAELESA-N
MW301.28 g/mol
LogP1.48
Rot. Bonds6

About [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol

[(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol (PubChem CID 118136180) has the molecular formula C13H20NO5P and a molecular weight of 301.28 g/mol. Its IUPAC name is [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol
PubChem CID118136180
Molecular FormulaC13H20NO5P
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC Name[(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol
SMILESCOP(N)(=O)O[C@H]1C[C@H](Cc2ccccc2)O[C@@H]1CO
InChIInChI=1S/C13H20NO5P/c1-17-20(14,16)19-12-8-11(18-13(12)9-15)7-10-5-3-2-4-6-10/h2-6,11-13,15H,7-9H2,1H3,(H2,14,16)/t11-,12-,13+,20?/m0/s1
InChIKeyGRAZMTPIMWGSCD-DJDVAELESA-N
XLogP1.48
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
CID 102329507
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
CID 50960068
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409
(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
CID 134930571
[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
CID 156513644
ethyl 2-[[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-phenoxyphosphoryl]amino]-2-methylpropanoate
CID 72701115
N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide
CID 50958032
methyl 2-[(2S,4R,6R)-6-benzyl-4-methoxyoxan-2-yl]-2-methylpropanoate
CID 101436530
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol (CID 118136180) is [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol is COP(N)(=O)O[C@H]1C[C@H](Cc2ccccc2)O[C@@H]1CO.
What is the InChIKey of [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol?
The InChIKey is GRAZMTPIMWGSCD-DJDVAELESA-N. The full InChI is InChI=1S/C13H20NO5P/c1-17-20(14,16)19-12-8-11(18-13(12)9-15)7-10-5-3-2-4-6-10/h2-6,11-13,15H,7-9H2,1H3,(H2,14,16)/t11-,12-,13+,20?/m0/s1.
What are the key properties of [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol?
[(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol has a molecular weight of 301.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-3-[amino(methoxy)phosphoryl]oxy-5-benzyloxolan-2-yl]methanol is sourced from PubChem (CID 118136180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).