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

C13H19NO5 — CID 22887311

IUPAC(3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC(NCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H19NO5/c15-7-9-10(16)11(17)12(18)13(19-9)14-6-8-4-2-1-3-5-8/h1-5,9-18H,6-7H2/t9-,10-,11+,12-,13?/m1/s1
InChIKeyJMAHBQWKTCJRGQ-HENWMNBSSA-N
MW269.30 g/mol
LogP-1.42
Rot. Bonds4

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

(3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 22887311) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID22887311
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC(NCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H19NO5/c15-7-9-10(16)11(17)12(18)13(19-9)14-6-8-4-2-1-3-5-8/h1-5,9-18H,6-7H2/t9-,10-,11+,12-,13?/m1/s1
InChIKeyJMAHBQWKTCJRGQ-HENWMNBSSA-N
XLogP-1.42
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 22887311) is (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1OC(NCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is JMAHBQWKTCJRGQ-HENWMNBSSA-N. The full InChI is InChI=1S/C13H19NO5/c15-7-9-10(16)11(17)12(18)13(19-9)14-6-8-4-2-1-3-5-8/h1-5,9-18H,6-7H2/t9-,10-,11+,12-,13?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol?
(3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 269.30 g/mol, XLogP of -1.42, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-2-(benzylamino)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 22887311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).