(7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate

C17H20O8 — CID 14033843

IUPAC(7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate
SMILESCC(=O)OC1C(O)OC2COC(c3ccccc3)OC2C1OC(C)=O
InChIInChI=1S/C17H20O8/c1-9(18)22-14-13-12(24-16(20)15(14)23-10(2)19)8-21-17(25-13)11-6-4-3-5-7-11/h3-7,12-17,20H,8H2,1-2H3
InChIKeyKKOAVLPXWRWNHA-UHFFFAOYSA-N
MW352.34 g/mol
LogP0.68
Rot. Bonds3

About (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate

(7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate (PubChem CID 14033843) has the molecular formula C17H20O8 and a molecular weight of 352.34 g/mol. Its IUPAC name is (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate.

Molecular Properties

Compound Name(7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate
PubChem CID14033843
Molecular FormulaC17H20O8
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name(7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate
SMILESCC(=O)OC1C(O)OC2COC(c3ccccc3)OC2C1OC(C)=O
InChIInChI=1S/C17H20O8/c1-9(18)22-14-13-12(24-16(20)15(14)23-10(2)19)8-21-17(25-13)11-6-4-3-5-7-11/h3-7,12-17,20H,8H2,1-2H3
InChIKeyKKOAVLPXWRWNHA-UHFFFAOYSA-N
XLogP0.68
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-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

Amygdalin
CID 656516
Icariside F2
CID 14079045
Tribenoside
CID 196122
2-Phenyl-2-(3,4,5-Trihydroxy-6-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxyacetonitrile
CID 2180
1-O-trans-Cinnamoyl-beta-D-glucopyranose
CID 5280653
Phenylethyl primeveroside
CID 14704521
Benzyl b-primeveroside
CID 14730864
Hydrangeifolin I
CID 10549806
2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
CID 11166301
Benzyl beta-d-glucopyranoside
CID 188977
1,2,3-Trideoxy-4,6:5,7-bis-O-((4-propylphenyl)methylene)-nonitol
CID 58995446
Rosavin
CID 9823887

Frequently Asked Questions

What is the IUPAC name of (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate?
The IUPAC name of (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate (CID 14033843) is (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate.
What is the SMILES notation for (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate?
The canonical SMILES for (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate is CC(=O)OC1C(O)OC2COC(c3ccccc3)OC2C1OC(C)=O.
What is the InChIKey of (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate?
The InChIKey is KKOAVLPXWRWNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O8/c1-9(18)22-14-13-12(24-16(20)15(14)23-10(2)19)8-21-17(25-13)11-6-4-3-5-7-11/h3-7,12-17,20H,8H2,1-2H3.
What are the key properties of (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate?
(7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate has a molecular weight of 352.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-acetyloxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate is sourced from PubChem (CID 14033843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).