(1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione

C15H18O7 — CID 44542226

IUPAC(1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione
SMILESC[C@@H]1C[C@@H]2O[C@H]3C(=O)O[C@@H]4C[C@]13[C@@]2(O)[C@]1(C)COC(=O)[C@]41O
InChIInChI=1S/C15H18O7/c1-6-3-7-15(19)12(2)5-20-11(17)14(12,18)8-4-13(6,15)9(21-7)10(16)22-8/h6-9,18-19H,3-5H2,1-2H3/t6-,7+,8-,9+,12-,13+,14-,15+/m1/s1
InChIKeyKXYYBBVKQOHNOP-QTWYHDFGSA-N
MW310.30 g/mol
LogP-0.87
Rot. Bonds

About (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione

(1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione (PubChem CID 44542226) has the molecular formula C15H18O7 and a molecular weight of 310.30 g/mol. Its IUPAC name is (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione.

Molecular Properties

Compound Name(1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione
PubChem CID44542226
Molecular FormulaC15H18O7
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name(1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione
SMILESC[C@@H]1C[C@@H]2O[C@H]3C(=O)O[C@@H]4C[C@]13[C@@]2(O)[C@]1(C)COC(=O)[C@]41O
InChIInChI=1S/C15H18O7/c1-6-3-7-15(19)12(2)5-20-11(17)14(12,18)8-4-13(6,15)9(21-7)10(16)22-8/h6-9,18-19H,3-5H2,1-2H3/t6-,7+,8-,9+,12-,13+,14-,15+/m1/s1
InChIKeyKXYYBBVKQOHNOP-QTWYHDFGSA-N
XLogP-0.87
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione with MolForge

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Related Compounds

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CID 15600080
(1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7-trihydroxy-11-(methoxymethoxy)-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
CID 57342062
(1S,2R,4R,5R,6R,10R,13R)-4,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
CID 11174466
(1R,2S,11R,14R)-10,14-dihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
CID 163186509
(1S,2S,6R,10R,11S,14S)-10,14-dihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
CID 162850580
(1S,2S,3S,6R,10R,11S,14R)-3,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione
CID 162998638
(1S,4R,5S,9R,11R,13S,14S)-4,13-dihydroxy-4,5,14-trimethyl-7,10-dioxatetracyclo[9.2.1.01,9.05,13]tetradecane-3,8-dione
CID 101021290
methyl (1S,2S,3S,5R,6R,7R,8R,11R)-3,5,7,11-tetrahydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate
CID 25243169
(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
CID 10820550
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
(1R,4R,5R,6S,7R,8S,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
CID 636913
(1R,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one
CID 163001710

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione?
The IUPAC name of (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione (CID 44542226) is (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione.
What is the SMILES notation for (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione?
The canonical SMILES for (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione is C[C@@H]1C[C@@H]2O[C@H]3C(=O)O[C@@H]4C[C@]13[C@@]2(O)[C@]1(C)COC(=O)[C@]41O.
What is the InChIKey of (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione?
The InChIKey is KXYYBBVKQOHNOP-QTWYHDFGSA-N. The full InChI is InChI=1S/C15H18O7/c1-6-3-7-15(19)12(2)5-20-11(17)14(12,18)8-4-13(6,15)9(21-7)10(16)22-8/h6-9,18-19H,3-5H2,1-2H3/t6-,7+,8-,9+,12-,13+,14-,15+/m1/s1.
What are the key properties of (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione?
(1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione has a molecular weight of 310.30 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,6R,9R,10R,14S,15R)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.01,6.04,15.010,14]hexadecane-7,11-dione is sourced from PubChem (CID 44542226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).