(2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol

C13H19NO5 — CID 70152548

IUPAC(2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(O)Cc2ccccc2)O[C@H]1O
InChIInChI=1S/C13H19NO5/c14-9-10(16)11(17)12(19-13(9)18)8(15)6-7-4-2-1-3-5-7/h1-5,8-13,15-18H,6,14H2/t8?,9-,10-,11+,12-,13-/m1/s1
InChIKeyAHNOFAXIIVRCFW-ZVACVBPESA-N
MW269.30 g/mol
LogP-1.64
Rot. Bonds3

About (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol

(2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol (PubChem CID 70152548) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol
PubChem CID70152548
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(O)Cc2ccccc2)O[C@H]1O
InChIInChI=1S/C13H19NO5/c14-9-10(16)11(17)12(19-13(9)18)8(15)6-7-4-2-1-3-5-7/h1-5,8-13,15-18H,6,14H2/t8?,9-,10-,11+,12-,13-/m1/s1
InChIKeyAHNOFAXIIVRCFW-ZVACVBPESA-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 (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol (CID 70152548) is (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol is N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(O)Cc2ccccc2)O[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol?
The InChIKey is AHNOFAXIIVRCFW-ZVACVBPESA-N. The full InChI is InChI=1S/C13H19NO5/c14-9-10(16)11(17)12(19-13(9)18)8(15)6-7-4-2-1-3-5-7/h1-5,8-13,15-18H,6,14H2/t8?,9-,10-,11+,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol?
(2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)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 (2R,3R,4R,5S,6R)-3-amino-6-(1-hydroxy-2-phenylethyl)oxane-2,4,5-triol is sourced from PubChem (CID 70152548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).