[(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

C26H32N2O7 — CID 93488666

IUPAC[(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](/C=N\N(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OC(C)=O
InChIInChI=1S/C26H32N2O7/c1-18(29)33-25-24(32-17-21-13-9-6-10-14-21)23(31-16-20-11-7-5-8-12-20)22(15-27-28(3)4)35-26(25)34-19(2)30/h5-15,22-26H,16-17H2,1-4H3/b27-15-/t22-,23+,24+,25+,26-/m0/s1
InChIKeyIKFPDKZTSBDVRM-ZJGGTMKMSA-N
MW484.55 g/mol
LogP2.92
Rot. Bonds10

About [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

[(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate (PubChem CID 93488666) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
PubChem CID93488666
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Name[(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](/C=N\N(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OC(C)=O
InChIInChI=1S/C26H32N2O7/c1-18(29)33-25-24(32-17-21-13-9-6-10-14-21)23(31-16-20-11-7-5-8-12-20)22(15-27-28(3)4)35-26(25)34-19(2)30/h5-15,22-26H,16-17H2,1-4H3/b27-15-/t22-,23+,24+,25+,26-/m0/s1
InChIKeyIKFPDKZTSBDVRM-ZJGGTMKMSA-N
XLogP2.92
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyoxan-2-yl]methyl acetate
CID 16758489
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(E)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyoxan-2-yl]methyl acetate
CID 9556104
[3,4,5-Triacetyloxy-6-[(2,4-dimethyl-3-phenylmethoxypentylidene)amino]oxyoxan-2-yl]methyl acetate
CID 73324463
(E,2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxy-N-pyrrolidin-1-ylethanimine
CID 134874892
[(2S,5S)-4-azido-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 135037263
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide
CID 135077925
[(6S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2-diazoacetate
CID 137288274
[(6R,8aR)-7-(2-diazoacetyl)oxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dimethylpropanoate
CID 137288277
[(6R,8aR)-8-acetyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2-diazoacetate
CID 137294210
[(6S,8aR)-8-acetyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2-diazoacetate
CID 137294211
[(6S,8aR)-7-(2-diazoacetyl)oxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dimethylpropanoate
CID 137294212
[(6R,8aS)-7-(2-diazoacetyl)oxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dimethylpropanoate
CID 137295440

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate (CID 93488666) is [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate is CC(=O)O[C@H]1O[C@@H](/C=N\N(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The InChIKey is IKFPDKZTSBDVRM-ZJGGTMKMSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-18(29)33-25-24(32-17-21-13-9-6-10-14-21)23(31-16-20-11-7-5-8-12-20)22(15-27-28(3)4)35-26(25)34-19(2)30/h5-15,22-26H,16-17H2,1-4H3/b27-15-/t22-,23+,24+,25+,26-/m0/s1.
What are the key properties of [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
[(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate has a molecular weight of 484.55 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate is sourced from PubChem (CID 93488666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).