(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol

C24H27NO6 — CID 53308575

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](N(Cc2cccc3ccccc23)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H27NO6/c26-14-20-21(27)22(28)23(29)24(31-20)25(30-15-16-7-2-1-3-8-16)13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12,20-24,26-29H,13-15H2/t20-,21-,22+,23-,24-/m1/s1
InChIKeyUICUYODWAGNRRX-GNADVCDUSA-N
MW425.48 g/mol
LogP1.57
Rot. Bonds7

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol (PubChem CID 53308575) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol
PubChem CID53308575
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](N(Cc2cccc3ccccc23)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H27NO6/c26-14-20-21(27)22(28)23(29)24(31-20)25(30-15-16-7-2-1-3-8-16)13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12,20-24,26-29H,13-15H2/t20-,21-,22+,23-,24-/m1/s1
InChIKeyUICUYODWAGNRRX-GNADVCDUSA-N
XLogP1.57
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 51.57
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,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol
CID 118719888
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol
CID 118719900
[(2R,3R,4S,5R)-4,5-dihydroxy-1-[(1R)-1-naphthalen-1-ylethyl]-3-phenylmethoxypiperidin-2-yl]methyl acetate
CID 50906620
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
N-(N-Benzhydryl-N-benzoxy)-beta-D-glucopyranosylamine
CID 53308572
N-(N-Benzoxy-N-benzyl)-beta-D-glucopyranosylamine
CID 53308576
N-(N-Methoxy-N-naphthalen-1-yl-methyl)-beta-D-glucopyranosylamine
CID 53308579
N-(N-Benzoxy-N-naphthalen-2-yl-methyl)-beta-D-glucopyranosylamine
CID 53308581
N-(N-Ethoxy-N-naphthalen-1-yl-methyl)-beta-D-glucopyranosylamine
CID 53308588
(2R,4S,5S)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89348931
(3S,4S,6R)-2-(hydroxymethyl)-6-[methoxy(naphthalen-1-ylmethyl)amino]oxane-3,4,5-triol
CID 89348932

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol (CID 53308575) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol is OC[C@H]1O[C@@H](N(Cc2cccc3ccccc23)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol?
The InChIKey is UICUYODWAGNRRX-GNADVCDUSA-N. The full InChI is InChI=1S/C24H27NO6/c26-14-20-21(27)22(28)23(29)24(31-20)25(30-15-16-7-2-1-3-8-16)13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12,20-24,26-29H,13-15H2/t20-,21-,22+,23-,24-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol has a molecular weight of 425.48 g/mol, XLogP of 1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[naphthalen-1-ylmethyl(phenylmethoxy)amino]oxane-3,4,5-triol is sourced from PubChem (CID 53308575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).