[(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate

C23H31NO5 — CID 126481237

IUPAC[(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate
SMILESCOC(COC(C)=O)C(OCc1ccccc1)C(OCc1ccccc1)[C@@H](C)N
InChIInChI=1S/C23H31NO5/c1-17(24)22(28-14-19-10-6-4-7-11-19)23(21(26-3)16-27-18(2)25)29-15-20-12-8-5-9-13-20/h4-13,17,21-23H,14-16,24H2,1-3H3/t17-,21?,22?,23?/m1/s1
InChIKeyHZVMKFIAPAZKHX-ZJEZHKNBSA-N
MW401.50 g/mol
LogP3.08
Rot. Bonds12

About [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate

[(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate (PubChem CID 126481237) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate.

Molecular Properties

Compound Name[(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate
PubChem CID126481237
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name[(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate
SMILESCOC(COC(C)=O)C(OCc1ccccc1)C(OCc1ccccc1)[C@@H](C)N
InChIInChI=1S/C23H31NO5/c1-17(24)22(28-14-19-10-6-4-7-11-19)23(21(26-3)16-27-18(2)25)29-15-20-12-8-5-9-13-20/h4-13,17,21-23H,14-16,24H2,1-3H3/t17-,21?,22?,23?/m1/s1
InChIKeyHZVMKFIAPAZKHX-ZJEZHKNBSA-N
XLogP3.08
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,4S)-5-acetyloxy-2,4-dimethyl-3-phenylmethoxypentyl] acetate
CID 10853279
[(2S,3S)-3,4-diacetyloxy-2-phenylmethoxybutyl] acetate
CID 10806920
[(2R,3R,4R,5S)-2,3,4,5-tetrakis(phenylmethoxy)-6-propanoyloxyhexyl] propanoate
CID 167144850
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879
[(2R,3S,4S)-2,3,4-triacetyloxy-5-phenylmethoxypentyl] acetate
CID 101133703
benzyl acetate
CID 8785
methyl (2S)-2-acetyloxy-2-phenylmethoxyacetate
CID 101037708
(3R,4S,5S)-5-amino-4-phenylmethoxy-3-(trifluoromethyl)hexanoic acid
CID 125426933
(1-methoxy-2-phenylmethoxy-3-propan-2-yloxypropyl) acetate
CID 19748418
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388
(2-amino-2-oxo-1-phenylmethoxyethyl) acetate
CID 154369518
(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
CID 10024186

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate?
The IUPAC name of [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate (CID 126481237) is [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate.
What is the SMILES notation for [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate?
The canonical SMILES for [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate is COC(COC(C)=O)C(OCc1ccccc1)C(OCc1ccccc1)[C@@H](C)N.
What is the InChIKey of [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate?
The InChIKey is HZVMKFIAPAZKHX-ZJEZHKNBSA-N. The full InChI is InChI=1S/C23H31NO5/c1-17(24)22(28-14-19-10-6-4-7-11-19)23(21(26-3)16-27-18(2)25)29-15-20-12-8-5-9-13-20/h4-13,17,21-23H,14-16,24H2,1-3H3/t17-,21?,22?,23?/m1/s1.
What are the key properties of [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate?
[(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate has a molecular weight of 401.50 g/mol, XLogP of 3.08, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-amino-2-methoxy-3,4-bis(phenylmethoxy)hexyl] acetate is sourced from PubChem (CID 126481237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).