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

C20H25NO6 — CID 53308576

IUPAC(2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](N(Cc2ccccc2)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H25NO6/c22-12-16-17(23)18(24)19(25)20(27-16)21(11-14-7-3-1-4-8-14)26-13-15-9-5-2-6-10-15/h1-10,16-20,22-25H,11-13H2/t16-,17-,18+,19-,20-/m1/s1
InChIKeyDZJMQDNQYSARSP-OUUBHVDSSA-N
MW375.42 g/mol
LogP0.42
Rot. Bonds7

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

(2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53308576) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53308576
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name(2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](N(Cc2ccccc2)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H25NO6/c22-12-16-17(23)18(24)19(25)20(27-16)21(11-14-7-3-1-4-8-14)26-13-15-9-5-2-6-10-15/h1-10,16-20,22-25H,11-13H2/t16-,17-,18+,19-,20-/m1/s1
InChIKeyDZJMQDNQYSARSP-OUUBHVDSSA-N
XLogP0.42
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 50.42
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,4S,5S,6R)-2-[(3,4-dihydroxyphenyl)methyl-phenylmethoxyamino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 45270845
(3R,4S,5S,6R)-2-[(3,4-dihydroxyphenyl)methyl-phenylmethoxyamino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90665525
(S)-Phenyl[(2S)-4-(phenylmethyl)morpholin-2-yl]methanol
CID 58997981
(3R,4R,5R,6R)-1-benzyl-4,5-bis(phenylmethoxy)azepane-3,6-diol
CID 101691395
(2S)-1-[benzyl(3-hydroxypropyl)amino]-3-benzyloxy-propan-2-ol
CID 118253841
(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol
CID 7203907
(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyoxazinan-5-ol
CID 12156056
N-(N-Benzyl-N-methoxy)-beta-D-glucopyranosylamine
CID 53308497
N-(N-Benzhydryl-N-ethoxy)-beta-D-glucopyranosylamine
CID 53308566
N-(N-Benzhydryl-N-benzoxy)-beta-D-glucopyranosylamine
CID 53308572
N-(N-Benzoxy-N-naphthalen-1-yl-methyl)-beta-D-glucopyranosylamine
CID 53308575
N-(N-Methoxy-N-naphthalen-1-yl-methyl)-beta-D-glucopyranosylamine
CID 53308579

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53308576) is (2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](N(Cc2ccccc2)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is DZJMQDNQYSARSP-OUUBHVDSSA-N. The full InChI is InChI=1S/C20H25NO6/c22-12-16-17(23)18(24)19(25)20(27-16)21(11-14-7-3-1-4-8-14)26-13-15-9-5-2-6-10-15/h1-10,16-20,22-25H,11-13H2/t16-,17-,18+,19-,20-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 375.42 g/mol, XLogP of 0.42, 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-[benzyl(phenylmethoxy)amino]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53308576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).