(2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one

C13H17NO5 — CID 54163037

IUPAC(2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one
SMILESN[C@@H](CO)C(=O)[C@@H]1OC(c2ccccc2)OC[C@H]1O
InChIInChI=1S/C13H17NO5/c14-9(6-15)11(17)12-10(16)7-18-13(19-12)8-4-2-1-3-5-8/h1-5,9-10,12-13,15-16H,6-7,14H2/t9-,10+,12+,13?/m0/s1
InChIKeyOPTBPSLVMMXMPB-GENPNOBHSA-N
MW267.28 g/mol
LogP-0.65
Rot. Bonds4

About (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one

(2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one (PubChem CID 54163037) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one
PubChem CID54163037
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one
SMILESN[C@@H](CO)C(=O)[C@@H]1OC(c2ccccc2)OC[C@H]1O
InChIInChI=1S/C13H17NO5/c14-9(6-15)11(17)12-10(16)7-18-13(19-12)8-4-2-1-3-5-8/h1-5,9-10,12-13,15-16H,6-7,14H2/t9-,10+,12+,13?/m0/s1
InChIKeyOPTBPSLVMMXMPB-GENPNOBHSA-N
XLogP-0.65
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one with MolForge

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Related Compounds

(1R)-1-[(2S,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 11075553
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
(3-chloropyrazin-2-yl)-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methanone
CID 102363441
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
methyl (2S)-2-hydroxy-2-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]acetate
CID 165345559
(4R,5R)-4-[(1S)-1-azido-2-hydroxyethyl]-2-phenyl-1,3-dioxan-5-ol
CID 90061342
4-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)but-3-enoic acid
CID 71336233
(E)-3-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]prop-2-enoic acid
CID 70003261

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one (CID 54163037) is (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one is N[C@@H](CO)C(=O)[C@@H]1OC(c2ccccc2)OC[C@H]1O.
What is the InChIKey of (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one?
The InChIKey is OPTBPSLVMMXMPB-GENPNOBHSA-N. The full InChI is InChI=1S/C13H17NO5/c14-9(6-15)11(17)12-10(16)7-18-13(19-12)8-4-2-1-3-5-8/h1-5,9-10,12-13,15-16H,6-7,14H2/t9-,10+,12+,13?/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one?
(2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one has a molecular weight of 267.28 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one is sourced from PubChem (CID 54163037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).