(2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol

C15H23NO5 — CID 124771034

IUPAC(2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H23NO5/c1-9(12(18)10-6-4-3-5-7-10)16(2)15-14(20)13(19)11(17)8-21-15/h3-7,9,11-15,17-20H,8H2,1-2H3/t9-,11+,12+,13+,14-,15-/m1/s1
InChIKeyDALMASPWAKGCJH-PCTWNACOSA-N
MW297.35 g/mol
LogP-0.52
Rot. Bonds4

About (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol

(2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol (PubChem CID 124771034) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol
PubChem CID124771034
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H23NO5/c1-9(12(18)10-6-4-3-5-7-10)16(2)15-14(20)13(19)11(17)8-21-15/h3-7,9,11-15,17-20H,8H2,1-2H3/t9-,11+,12+,13+,14-,15-/m1/s1
InChIKeyDALMASPWAKGCJH-PCTWNACOSA-N
XLogP-0.52
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol with MolForge

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Related Compounds

(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
N-benzhydryl-N-methyloxirane-2-carboxamide
CID 154879943
(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol
CID 124555381
(1R,2S)-2-[[(2R)-2-amino-3-methylbutyl]-methylamino]-1-phenylpropan-1-ol
CID 86342127
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol
CID 10902251

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol (CID 124771034) is (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol is C[C@H]([C@H](O)c1ccccc1)N(C)[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol?
The InChIKey is DALMASPWAKGCJH-PCTWNACOSA-N. The full InChI is InChI=1S/C15H23NO5/c1-9(12(18)10-6-4-3-5-7-10)16(2)15-14(20)13(19)11(17)8-21-15/h3-7,9,11-15,17-20H,8H2,1-2H3/t9-,11+,12+,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol?
(2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol has a molecular weight of 297.35 g/mol, XLogP of -0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol is sourced from PubChem (CID 124771034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).