CID 163014800

C21H32O5 — CID 163014800

IUPAC—
SMILESCO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@H]2OC(=O)[C@@]4(C)CCC[C@@]3(C)[C@@H]24)CO1
InChIInChI=1S/C21H32O5/c1-13-10-14-16-18(2,17(22)25-14)6-5-7-19(16,3)21(13)9-8-20(26-21)11-15(23-4)24-12-20/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16+,18+,19+,20+,21-/m1/s1
InChIKeyQBCPPXUWUDONEX-MQUYVMPGSA-N
MW364.48 g/mol
LogP3.45
Rot. Bonds1

About CID 163014800

CID 163014800 (PubChem CID 163014800) has the molecular formula C21H32O5 and a molecular weight of 364.48 g/mol.

Molecular Properties

Compound NameCID 163014800
PubChem CID163014800
Molecular FormulaC21H32O5
Molecular Weight364.48 g/mol
Exact Mass364.22
IUPAC Name—
SMILESCO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@H]2OC(=O)[C@@]4(C)CCC[C@@]3(C)[C@@H]24)CO1
InChIInChI=1S/C21H32O5/c1-13-10-14-16-18(2,17(22)25-14)6-5-7-19(16,3)21(13)9-8-20(26-21)11-15(23-4)24-12-20/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16+,18+,19+,20+,21-/m1/s1
InChIKeyQBCPPXUWUDONEX-MQUYVMPGSA-N
XLogP3.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 163014800?
The IUPAC name of CID 163014800 (CID 163014800) is not available.
What is the SMILES notation for CID 163014800?
The canonical SMILES for CID 163014800 is CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@H]2OC(=O)[C@@]4(C)CCC[C@@]3(C)[C@@H]24)CO1.
What is the InChIKey of CID 163014800?
The InChIKey is QBCPPXUWUDONEX-MQUYVMPGSA-N. The full InChI is InChI=1S/C21H32O5/c1-13-10-14-16-18(2,17(22)25-14)6-5-7-19(16,3)21(13)9-8-20(26-21)11-15(23-4)24-12-20/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16+,18+,19+,20+,21-/m1/s1.
What are the key properties of CID 163014800?
CID 163014800 has a molecular weight of 364.48 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163014800 is sourced from PubChem (CID 163014800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).