(2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol

C14H20O4 — CID 100935655

IUPAC(2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol
SMILESO[C@@H]1[C@H](O)[C@H]2[C@@H]3C4C(C[C@H]13)C[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@@H]41
InChIInChI=1S/C14H20O4/c15-11-4-1-3-2-5-8-6(3)7(4)9(13(11)17)10(8)14(18)12(5)16/h3-18H,1-2H2/t3?,4-,5+,6?,7-,8+,9-,10+,11-,12+,13+,14-
InChIKeyHBAPLOSXDROCSN-TTZIUQEFSA-N
MW252.31 g/mol
LogP-0.79
Rot. Bonds

About (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol

(2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol (PubChem CID 100935655) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol
PubChem CID100935655
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol
SMILESO[C@@H]1[C@H](O)[C@H]2[C@@H]3C4C(C[C@H]13)C[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@@H]41
InChIInChI=1S/C14H20O4/c15-11-4-1-3-2-5-8-6(3)7(4)9(13(11)17)10(8)14(18)12(5)16/h3-18H,1-2H2/t3?,4-,5+,6?,7-,8+,9-,10+,11-,12+,13+,14-
InChIKeyHBAPLOSXDROCSN-TTZIUQEFSA-N
XLogP-0.79
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol?
The IUPAC name of (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol (CID 100935655) is (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol.
What is the SMILES notation for (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol?
The canonical SMILES for (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol is O[C@@H]1[C@H](O)[C@H]2[C@@H]3C4C(C[C@H]13)C[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@@H]41.
What is the InChIKey of (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol?
The InChIKey is HBAPLOSXDROCSN-TTZIUQEFSA-N. The full InChI is InChI=1S/C14H20O4/c15-11-4-1-3-2-5-8-6(3)7(4)9(13(11)17)10(8)14(18)12(5)16/h3-18H,1-2H2/t3?,4-,5+,6?,7-,8+,9-,10+,11-,12+,13+,14-.
What are the key properties of (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol?
(2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol has a molecular weight of 252.31 g/mol, XLogP of -0.79, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol is sourced from PubChem (CID 100935655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).