(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol

C15H23NO5 — CID 44585243

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol
SMILESOCC(Cc1ccccc1)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO5/c17-8-11(6-10-4-2-1-3-5-10)16-7-12-14(19)15(20)13(9-18)21-12/h1-5,11-20H,6-9H2/t11?,12-,13-,14-,15-/m1/s1
InChIKeyHURIQYZBNKIWPP-XSISWNRUSA-N
MW297.35 g/mol
LogP-1.34
Rot. Bonds7

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol (PubChem CID 44585243) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol
PubChem CID44585243
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol
SMILESOCC(Cc1ccccc1)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO5/c17-8-11(6-10-4-2-1-3-5-10)16-7-12-14(19)15(20)13(9-18)21-12/h1-5,11-20H,6-9H2/t11?,12-,13-,14-,15-/m1/s1
InChIKeyHURIQYZBNKIWPP-XSISWNRUSA-N
XLogP-1.34
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(2S)-3-phenyl-2-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37S,38R,39S,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylamino]propanoic acid
CID 15967200
(2S,3S,4S,5R)-4-[benzyl(methyl)amino]-2-(hydroxymethyl)-5-[(propan-2-ylamino)methyl]oxolan-3-ol;dihydrochloride
CID 146118934
(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 102610105
(2S)-3-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 102577490
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol
CID 66363184
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
CID 63261549
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol (CID 44585243) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol is OCC(Cc1ccccc1)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol?
The InChIKey is HURIQYZBNKIWPP-XSISWNRUSA-N. The full InChI is InChI=1S/C15H23NO5/c17-8-11(6-10-4-2-1-3-5-10)16-7-12-14(19)15(20)13(9-18)21-12/h1-5,11-20H,6-9H2/t11?,12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol has a molecular weight of 297.35 g/mol, XLogP of -1.34, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 44585243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).