(2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23NO6 — CID 53308585

IUPAC(2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCON(Cc1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H23NO6/c1-2-21-16(8-10-6-4-3-5-7-10)15-14(20)13(19)12(18)11(9-17)22-15/h3-7,11-15,17-20H,2,8-9H2,1H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyPUGJEHIXRYRTFC-UXXRCYHCSA-N
MW313.35 g/mol
LogP-0.76
Rot. Bonds6

About (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53308585) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53308585
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Name(2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCON(Cc1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H23NO6/c1-2-21-16(8-10-6-4-3-5-7-10)15-14(20)13(19)12(18)11(9-17)22-15/h3-7,11-15,17-20H,2,8-9H2,1H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyPUGJEHIXRYRTFC-UXXRCYHCSA-N
XLogP-0.76
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-deoxy-N-(2-phenylethyl)hexopyranosylamine
CID 3243430
N-Benzyl-D-glucamine dithiocarbamate
CID 105107
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-methylphenyl)methylamino]methyl]oxolane-3,4-diol
CID 44585404
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(3-methylphenyl)methylamino]methyl]oxolane-3,4-diol
CID 44585424
(2S,3R,4R,5S,6R)-2-[(benzylamino)methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71770444
(2S,3R,4R,5S,6R)-2-[[(4-fluorophenyl)methylamino]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71770447
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[[[(E)-3-phenylprop-2-enyl]amino]methyl]oxane-3,4,5-triol
CID 71770690
N-Benzyl-D-glucamine
CID 11737328
(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 54304602
(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol
CID 67509108
(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol
CID 72836876

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53308585) is (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is CCON(Cc1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is PUGJEHIXRYRTFC-UXXRCYHCSA-N. The full InChI is InChI=1S/C15H23NO6/c1-2-21-16(8-10-6-4-3-5-7-10)15-14(20)13(19)12(18)11(9-17)22-15/h3-7,11-15,17-20H,2,8-9H2,1H3/t11-,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 313.35 g/mol, XLogP of -0.76, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[benzyl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53308585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).