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

C20H25NO6 — CID 53308584

IUPAC(2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCON(C(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H25NO6/c1-26-21(20-19(25)18(24)17(23)15(12-22)27-20)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-20,22-25H,12H2,1H3/t15-,17-,18+,19-,20-/m1/s1
InChIKeyDAEIFWRMMFSFOG-XIKSMUEASA-N
MW375.42 g/mol
LogP0.44
Rot. Bonds6

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

(2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53308584) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53308584
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name(2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCON(C(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H25NO6/c1-26-21(20-19(25)18(24)17(23)15(12-22)27-20)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-20,22-25H,12H2,1H3/t15-,17-,18+,19-,20-/m1/s1
InChIKeyDAEIFWRMMFSFOG-XIKSMUEASA-N
XLogP0.44
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 50.44
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

(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585382
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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(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53308584) is (2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is CON(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(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is DAEIFWRMMFSFOG-XIKSMUEASA-N. The full InChI is InChI=1S/C20H25NO6/c1-26-21(20-19(25)18(24)17(23)15(12-22)27-20)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-20,22-25H,12H2,1H3/t15-,17-,18+,19-,20-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 375.42 g/mol, XLogP of 0.44, 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-[benzhydryl(methoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53308584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).