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

C21H27NO6 — CID 53308566

IUPAC(2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCON(C(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H27NO6/c1-2-27-22(21-20(26)19(25)18(24)16(13-23)28-21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-21,23-26H,2,13H2,1H3/t16-,18-,19+,20-,21-/m1/s1
InChIKeyWJEPVLDEYQVKFI-QNDFHXLGSA-N
MW389.45 g/mol
LogP0.83
Rot. Bonds7

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

(2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53308566) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53308566
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Name(2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCON(C(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H27NO6/c1-2-27-22(21-20(26)19(25)18(24)16(13-23)28-21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-21,23-26H,2,13H2,1H3/t16-,18-,19+,20-,21-/m1/s1
InChIKeyWJEPVLDEYQVKFI-QNDFHXLGSA-N
XLogP0.83
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585382
(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxyoxazinan-5-ol
CID 11221002
n-Benzyl-d-glucosylamine
CID 22887311
N-Benzyl-ss-glucosylamin
CID 51056108
1,2-bis(ethenyl)benzene;(2R,3S,4R,5R)-1-[(2-ethenylphenyl)methyl-methylamino]hexane-1,2,3,4,5,6-hexol
CID 6454546
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-(1-phenylethyl)piperidine-3,4,5-triol
CID 91078389
N-Diphenylmethyl 2,5-anhydro-2,5-imino-d-glucitol
CID 123659205
(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol
CID 7203907
1-Dibenzylamino-1-deoxy-4,5-O-isopropylidene-beta-D-\ fructopyranose
CID 11418138
N-(N-Benzyl-N-methoxy)-beta-D-glucopyranosylamine
CID 53308497
N-(N-Methoxy-N-naphthalen-2-yl-methyl)-beta-D-glucopyranosylamine
CID 53308556
N-(N-Ethoxy-N-naphthalen-2-yl-methyl)-beta-D-glucopyranosylamine
CID 53308563

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53308566) is (2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is CCON(C(c1ccccc1)c1ccccc1)[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-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is WJEPVLDEYQVKFI-QNDFHXLGSA-N. The full InChI is InChI=1S/C21H27NO6/c1-2-27-22(21-20(26)19(25)18(24)16(13-23)28-21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-21,23-26H,2,13H2,1H3/t16-,18-,19+,20-,21-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 389.45 g/mol, XLogP of 0.83, 7 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-[benzhydryl(ethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53308566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).