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

C13H19NO5 — CID 140974185

IUPAC(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C13H19NO5/c14-12-11(17)10(16)9(7-15)19-13(12,18)6-8-4-2-1-3-5-8/h1-5,9-12,15-18H,6-7,14H2/t9-,10-,11+,12-,13+/m1/s1
InChIKeyRDBDAAURQLIIEM-LBELIVKGSA-N
MW269.30 g/mol
LogP-1.64
Rot. Bonds3

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

(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 140974185) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID140974185
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C13H19NO5/c14-12-11(17)10(16)9(7-15)19-13(12,18)6-8-4-2-1-3-5-8/h1-5,9-12,15-18H,6-7,14H2/t9-,10-,11+,12-,13+/m1/s1
InChIKeyRDBDAAURQLIIEM-LBELIVKGSA-N
XLogP-1.64
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol (CID 140974185) is (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol is N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is RDBDAAURQLIIEM-LBELIVKGSA-N. The full InChI is InChI=1S/C13H19NO5/c14-12-11(17)10(16)9(7-15)19-13(12,18)6-8-4-2-1-3-5-8/h1-5,9-12,15-18H,6-7,14H2/t9-,10-,11+,12-,13+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol?
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 269.30 g/mol, XLogP of -1.64, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 140974185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).