[(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate

C23H26O5 — CID 10948955

IUPAC[(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](C)O[C@@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O5/c1-15-14-20(27-16(2)24)22(28-17(3)25)23(26-15)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,15,20-23H,14H2,1-3H3/t15-,20-,22-,23+/m0/s1
InChIKeyBHSYOLBXOQVIRK-IINBLNPLSA-N
MW382.46 g/mol
LogP3.86
Rot. Bonds5

About [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate

[(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate (PubChem CID 10948955) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate
PubChem CID10948955
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name[(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](C)O[C@@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O5/c1-15-14-20(27-16(2)24)22(28-17(3)25)23(26-15)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,15,20-23H,14H2,1-3H3/t15-,20-,22-,23+/m0/s1
InChIKeyBHSYOLBXOQVIRK-IINBLNPLSA-N
XLogP3.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate 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

[(2S,3S,4S,6S)-3-acetyloxy-2-methyl-6-phenyloxan-4-yl] acetate
CID 10039969
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
CID 59913097
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane
CID 158693531
[(2R,3R,4S,6R)-2-acetyloxy-3-benzoyloxy-6-methyloxan-4-yl] benzoate
CID 67552808
[(3S,4S,6R)-3-benzoyloxy-2,6-dimethyloxan-4-yl] benzoate
CID 21307881
[(2S,3R,4S,6R)-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 101175724
[(3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-1-[(1R)-1-phenylethyl]piperidin-3-yl] acetate
CID 11280349
[(2S,3R,4S)-3-acetyloxy-6-bromo-2-methyloxan-4-yl] acetate
CID 10891746
[(2S,3R,4S)-3-acetyloxy-6-(1,3-dioxoisoindol-2-yl)oxy-2-methyloxan-4-yl] acetate
CID 170261454
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 134202816
[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
CID 156614307
methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate
CID 134900360

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate?
The IUPAC name of [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate (CID 10948955) is [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate.
What is the SMILES notation for [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate?
The canonical SMILES for [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate is CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](C)O[C@@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate?
The InChIKey is BHSYOLBXOQVIRK-IINBLNPLSA-N. The full InChI is InChI=1S/C23H26O5/c1-15-14-20(27-16(2)24)22(28-17(3)25)23(26-15)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,15,20-23H,14H2,1-3H3/t15-,20-,22-,23+/m0/s1.
What are the key properties of [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate?
[(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate has a molecular weight of 382.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate is sourced from PubChem (CID 10948955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).