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

C13H19NO5 — CID 11565251

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

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

(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 11565251) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID11565251
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@H](NCc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H19NO5/c15-7-9-11(16)12(17)10(13(18)19-9)14-6-8-4-2-1-3-5-8/h1-5,9-18H,6-7H2/t9-,10-,11+,12-,13?/m1/s1
InChIKeyVOYHRJLDGCEDBS-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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Related Compounds

(3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol
CID 102126208
[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino] 2-phenylacetate
CID 131864914
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(3S,4R,5S,6R)-3-[2-(2,6-dihydroxyphenyl)ethylamino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140533952
(3R,4R,5R,6R)-3-[2-(2,6-dihydroxyphenyl)ethylamino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140533940
2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718672
(3R,4R,5R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 126608918
(3R,4R,5R,6R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58606874
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70829993
actinium;(2R)-6-chloro-2-(hydroxymethyl)-5-(3-phenylpropylamino)oxane-3,4-diol
CID 59974131
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 11565251) is (3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1OC(O)[C@H](NCc2ccccc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is VOYHRJLDGCEDBS-HENWMNBSSA-N. The full InChI is InChI=1S/C13H19NO5/c15-7-9-11(16)12(17)10(13(18)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,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-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,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 11565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).