(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol

C18H21NO5 — CID 131735079

IUPAC(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@H](N(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H21NO5/c20-11-14-16(21)17(22)15(18(23)24-14)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-18,20-23H,11H2/t14-,15-,16-,17-,18?/m1/s1
InChIKeyBWTUFNPLSDHUKR-XNIMBYMISA-N
MW331.37 g/mol
LogP0.62
Rot. Bonds4

About (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol

(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol (PubChem CID 131735079) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol
PubChem CID131735079
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@H](N(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H21NO5/c20-11-14-16(21)17(22)15(18(23)24-14)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-18,20-23H,11H2/t14-,15-,16-,17-,18?/m1/s1
InChIKeyBWTUFNPLSDHUKR-XNIMBYMISA-N
XLogP0.62
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol with MolForge

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Related Compounds

1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2R,3S,4R,5S,6R)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 124748068
(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 51870558
azulen-2-ylmethanol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67648023
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentaphene
CID 159584072
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol?
The IUPAC name of (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol (CID 131735079) is (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol.
What is the SMILES notation for (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol?
The canonical SMILES for (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol is OC[C@H]1OC(O)[C@H](N(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol?
The InChIKey is BWTUFNPLSDHUKR-XNIMBYMISA-N. The full InChI is InChI=1S/C18H21NO5/c20-11-14-16(21)17(22)15(18(23)24-14)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-18,20-23H,11H2/t14-,15-,16-,17-,18?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol?
(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol has a molecular weight of 331.37 g/mol, XLogP of 0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-6-(hydroxymethyl)-3-(N-phenylanilino)oxane-2,4,5-triol is sourced from PubChem (CID 131735079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).