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

C19H25NO6 — CID 53308588

IUPAC(2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCON(Cc1cccc2ccccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H25NO6/c1-2-25-20(19-18(24)17(23)16(22)15(11-21)26-19)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15-19,21-24H,2,10-11H2,1H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyJQUPWIQNMCEKER-UJWQCDCRSA-N
MW363.41 g/mol
LogP0.39
Rot. Bonds6

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

(2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53308588) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53308588
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name(2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCON(Cc1cccc2ccccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H25NO6/c1-2-25-20(19-18(24)17(23)16(22)15(11-21)26-19)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15-19,21-24H,2,10-11H2,1H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyJQUPWIQNMCEKER-UJWQCDCRSA-N
XLogP0.39
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.39
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-(hydroxymethyl)-5-(((S)-1-(naphthalen-2-yl)ethylamino)methyl)-tetrahydrofuran-3,4-diol
CID 44585228
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((R)-1-(naphthalen-2-yl)ethylamino)methyl)-tetrahydrofuran-3,4-diol
CID 44585247
1,2-bis(ethenyl)benzene;(2R,3S,4R,5R)-1-[(2-ethenylphenyl)methyl-methylamino]hexane-1,2,3,4,5,6-hexol
CID 6454546
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
N-(N-Benzhydryl-N-ethoxy)-beta-D-glucopyranosylamine
CID 53308566
N-(N-Benzoxy-N-naphthalen-1-yl-methyl)-beta-D-glucopyranosylamine
CID 53308575
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-Benzhydryl-N-methoxy)-beta-D-glucopyranosylamine
CID 53308584

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53308588) is (2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is CCON(Cc1cccc2ccccc12)[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-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is JQUPWIQNMCEKER-UJWQCDCRSA-N. The full InChI is InChI=1S/C19H25NO6/c1-2-25-20(19-18(24)17(23)16(22)15(11-21)26-19)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15-19,21-24H,2,10-11H2,1H3/t15-,16-,17+,18-,19-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 363.41 g/mol, XLogP of 0.39, 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-[ethoxy(naphthalen-1-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53308588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).