CID 14233393

C26H36O8 — CID 14233393

IUPAC—
SMILESCOC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@@]32OCOC23COCO3)[C@@]2(C)CCC(=O)C=C12
InChIInChI=1S/C26H36O8/c1-23-6-4-16(27)10-19(23)15(9-21(29)30-3)8-17-18-5-7-25(24(18,2)11-20(28)22(17)23)26(34-14-32-25)12-31-13-33-26/h10,15,17-18,20,22,28H,4-9,11-14H2,1-3H3/t15-,17-,18-,20-,22+,23-,24-,25+,26?/m0/s1
InChIKeyLYKVCISBLYJHQT-HEUFRHTNSA-N
MW476.57 g/mol
LogP2.72
Rot. Bonds2

About CID 14233393

CID 14233393 (PubChem CID 14233393) has the molecular formula C26H36O8 and a molecular weight of 476.57 g/mol.

Molecular Properties

Compound NameCID 14233393
PubChem CID14233393
Molecular FormulaC26H36O8
Molecular Weight476.57 g/mol
Exact Mass476.24
IUPAC Name—
SMILESCOC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@@]32OCOC23COCO3)[C@@]2(C)CCC(=O)C=C12
InChIInChI=1S/C26H36O8/c1-23-6-4-16(27)10-19(23)15(9-21(29)30-3)8-17-18-5-7-25(24(18,2)11-20(28)22(17)23)26(34-14-32-25)12-31-13-33-26/h10,15,17-18,20,22,28H,4-9,11-14H2,1-3H3/t15-,17-,18-,20-,22+,23-,24-,25+,26?/m0/s1
InChIKeyLYKVCISBLYJHQT-HEUFRHTNSA-N
XLogP2.72
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 14233393?
The IUPAC name of CID 14233393 (CID 14233393) is not available.
What is the SMILES notation for CID 14233393?
The canonical SMILES for CID 14233393 is COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@@]32OCOC23COCO3)[C@@]2(C)CCC(=O)C=C12.
What is the InChIKey of CID 14233393?
The InChIKey is LYKVCISBLYJHQT-HEUFRHTNSA-N. The full InChI is InChI=1S/C26H36O8/c1-23-6-4-16(27)10-19(23)15(9-21(29)30-3)8-17-18-5-7-25(24(18,2)11-20(28)22(17)23)26(34-14-32-25)12-31-13-33-26/h10,15,17-18,20,22,28H,4-9,11-14H2,1-3H3/t15-,17-,18-,20-,22+,23-,24-,25+,26?/m0/s1.
What are the key properties of CID 14233393?
CID 14233393 has a molecular weight of 476.57 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14233393 is sourced from PubChem (CID 14233393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).