(2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol

C15H23NO5 — CID 129100034

IUPAC(2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol
SMILESCO[C@@H](OC1COC(c2ccccc2)O[C@H]1C)[C@@H](N)CO
InChIInChI=1S/C15H23NO5/c1-10-13(21-15(18-2)12(16)8-17)9-19-14(20-10)11-6-4-3-5-7-11/h3-7,10,12-15,17H,8-9,16H2,1-2H3/t10-,12-,13?,14?,15-/m0/s1
InChIKeyNUNFACFMRUQWTQ-GUUWLEBZSA-N
MW297.35 g/mol
LogP0.80
Rot. Bonds6

About (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol

(2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol (PubChem CID 129100034) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol
PubChem CID129100034
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol
SMILESCO[C@@H](OC1COC(c2ccccc2)O[C@H]1C)[C@@H](N)CO
InChIInChI=1S/C15H23NO5/c1-10-13(21-15(18-2)12(16)8-17)9-19-14(20-10)11-6-4-3-5-7-11/h3-7,10,12-15,17H,8-9,16H2,1-2H3/t10-,12-,13?,14?,15-/m0/s1
InChIKeyNUNFACFMRUQWTQ-GUUWLEBZSA-N
XLogP0.80
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
(4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 135041449
(2S)-2-amino-3-hydroxy-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propan-1-one
CID 54163037
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
2-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propyl]propane-1,3-diol
CID 14176964
(1R)-1-[(2S,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 11075553
[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
CID 102054254
1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol
CID 155589485
2-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)propan-1-ol;ethane
CID 91105173
(2R,3aR)-4-methyl-2-phenyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 134582152
methyl (2S)-2-hydroxy-2-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]acetate
CID 165345559
2-phenyl-1,3-dioxolan-4-ol
CID 23288237

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol?
The IUPAC name of (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol (CID 129100034) is (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol.
What is the SMILES notation for (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol?
The canonical SMILES for (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol is CO[C@@H](OC1COC(c2ccccc2)O[C@H]1C)[C@@H](N)CO.
What is the InChIKey of (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol?
The InChIKey is NUNFACFMRUQWTQ-GUUWLEBZSA-N. The full InChI is InChI=1S/C15H23NO5/c1-10-13(21-15(18-2)12(16)8-17)9-19-14(20-10)11-6-4-3-5-7-11/h3-7,10,12-15,17H,8-9,16H2,1-2H3/t10-,12-,13?,14?,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol?
(2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol has a molecular weight of 297.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol is sourced from PubChem (CID 129100034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).