(1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol

C14H24O7 — CID 42640130

IUPAC(1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol
SMILESCO[C@H]1C[C@@H]2O[C@](C)([C@H]1O)[C@@]1(O)[C@H](C)O[C@@H](O)C[C@@]21OC
InChIInChI=1S/C14H24O7/c1-7-14(17)12(2)11(16)8(18-3)5-9(21-12)13(14,19-4)6-10(15)20-7/h7-11,15-17H,5-6H2,1-4H3/t7-,8-,9-,10+,11-,12+,13+,14-/m0/s1
InChIKeyVOXRJYWWINZCOZ-DEHUOKPOSA-N
MW304.34 g/mol
LogP-0.83
Rot. Bonds2

About (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol

(1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol (PubChem CID 42640130) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol.

Molecular Properties

Compound Name(1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol
PubChem CID42640130
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name(1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol
SMILESCO[C@H]1C[C@@H]2O[C@](C)([C@H]1O)[C@@]1(O)[C@H](C)O[C@@H](O)C[C@@]21OC
InChIInChI=1S/C14H24O7/c1-7-14(17)12(2)11(16)8(18-3)5-9(21-12)13(14,19-4)6-10(15)20-7/h7-11,15-17H,5-6H2,1-4H3/t7-,8-,9-,10+,11-,12+,13+,14-/m0/s1
InChIKeyVOXRJYWWINZCOZ-DEHUOKPOSA-N
XLogP-0.83
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol?
The IUPAC name of (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol (CID 42640130) is (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol.
What is the SMILES notation for (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol?
The canonical SMILES for (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol is CO[C@H]1C[C@@H]2O[C@](C)([C@H]1O)[C@@]1(O)[C@H](C)O[C@@H](O)C[C@@]21OC.
What is the InChIKey of (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol?
The InChIKey is VOXRJYWWINZCOZ-DEHUOKPOSA-N. The full InChI is InChI=1S/C14H24O7/c1-7-14(17)12(2)11(16)8(18-3)5-9(21-12)13(14,19-4)6-10(15)20-7/h7-11,15-17H,5-6H2,1-4H3/t7-,8-,9-,10+,11-,12+,13+,14-/m0/s1.
What are the key properties of (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol?
(1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol has a molecular weight of 304.34 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5R,7R,8S,10S,11S)-7,10-dimethoxy-1,3-dimethyl-4,12-dioxatricyclo[6.3.1.02,7]dodecane-2,5,11-triol is sourced from PubChem (CID 42640130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).