3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one

C16H24O9 — CID 134973074

IUPAC3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one
SMILESCC1(C)OC2C(C3CC(O)C(O)C(=O)O3)O[C@@H]3OC(C)(C)O[C@@H]3C2O1
InChIInChI=1S/C16H24O9/c1-15(2)22-10-9(7-5-6(17)8(18)13(19)20-7)21-14-12(11(10)23-15)24-16(3,4)25-14/h6-12,14,17-18H,5H2,1-4H3/t6?,7?,8?,9?,10?,11?,12-,14-/m1/s1
InChIKeyMLYDNHOLLUOTLE-YKTQODENSA-N
MW360.36 g/mol
LogP-0.58
Rot. Bonds1

About 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one

3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one (PubChem CID 134973074) has the molecular formula C16H24O9 and a molecular weight of 360.36 g/mol. Its IUPAC name is 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one
PubChem CID134973074
Molecular FormulaC16H24O9
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one
SMILESCC1(C)OC2C(C3CC(O)C(O)C(=O)O3)O[C@@H]3OC(C)(C)O[C@@H]3C2O1
InChIInChI=1S/C16H24O9/c1-15(2)22-10-9(7-5-6(17)8(18)13(19)20-7)21-14-12(11(10)23-15)24-16(3,4)25-14/h6-12,14,17-18H,5H2,1-4H3/t6?,7?,8?,9?,10?,11?,12-,14-/m1/s1
InChIKeyMLYDNHOLLUOTLE-YKTQODENSA-N
XLogP-0.58
TPSA112.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one with MolForge

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

Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one?
The IUPAC name of 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one (CID 134973074) is 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one.
What is the SMILES notation for 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one?
The canonical SMILES for 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one is CC1(C)OC2C(C3CC(O)C(O)C(=O)O3)O[C@@H]3OC(C)(C)O[C@@H]3C2O1.
What is the InChIKey of 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one?
The InChIKey is MLYDNHOLLUOTLE-YKTQODENSA-N. The full InChI is InChI=1S/C16H24O9/c1-15(2)22-10-9(7-5-6(17)8(18)13(19)20-7)21-14-12(11(10)23-15)24-16(3,4)25-14/h6-12,14,17-18H,5H2,1-4H3/t6?,7?,8?,9?,10?,11?,12-,14-/m1/s1.
What are the key properties of 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one?
3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one has a molecular weight of 360.36 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one is sourced from PubChem (CID 134973074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).