CID 10437868

C30H35F3O7 — CID 10437868

IUPAC—
SMILESCO[C@@](C(=O)O[C@@H]1C[C@@]2(O[C@]13C=COC3)[C@H](C)C[C@H]1OC(=O)[C@@]3(C)CCC[C@@]2(C)[C@@H]13)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C30H35F3O7/c1-18-15-20-22-25(2,23(34)38-20)11-8-12-26(22,3)28(18)16-21(27(40-28)13-14-37-17-27)39-24(35)29(36-4,30(31,32)33)19-9-6-5-7-10-19/h5-7,9-10,13-14,18,20-22H,8,11-12,15-17H2,1-4H3/t18-,20-,21-,22+,25+,26+,27+,28-,29-/m1/s1
InChIKeyZIGWJRDJUZTIFE-LKLWVWNMSA-N
MW564.60 g/mol
LogP5.22
Rot. Bonds4

About CID 10437868

CID 10437868 (PubChem CID 10437868) has the molecular formula C30H35F3O7 and a molecular weight of 564.60 g/mol.

Molecular Properties

Compound NameCID 10437868
PubChem CID10437868
Molecular FormulaC30H35F3O7
Molecular Weight564.60 g/mol
Exact Mass564.23
IUPAC Name—
SMILESCO[C@@](C(=O)O[C@@H]1C[C@@]2(O[C@]13C=COC3)[C@H](C)C[C@H]1OC(=O)[C@@]3(C)CCC[C@@]2(C)[C@@H]13)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C30H35F3O7/c1-18-15-20-22-25(2,23(34)38-20)11-8-12-26(22,3)28(18)16-21(27(40-28)13-14-37-17-27)39-24(35)29(36-4,30(31,32)33)19-9-6-5-7-10-19/h5-7,9-10,13-14,18,20-22H,8,11-12,15-17H2,1-4H3/t18-,20-,21-,22+,25+,26+,27+,28-,29-/m1/s1
InChIKeyZIGWJRDJUZTIFE-LKLWVWNMSA-N
XLogP5.22
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.60
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 10437868?
The IUPAC name of CID 10437868 (CID 10437868) is not available.
What is the SMILES notation for CID 10437868?
The canonical SMILES for CID 10437868 is CO[C@@](C(=O)O[C@@H]1C[C@@]2(O[C@]13C=COC3)[C@H](C)C[C@H]1OC(=O)[C@@]3(C)CCC[C@@]2(C)[C@@H]13)(c1ccccc1)C(F)(F)F.
What is the InChIKey of CID 10437868?
The InChIKey is ZIGWJRDJUZTIFE-LKLWVWNMSA-N. The full InChI is InChI=1S/C30H35F3O7/c1-18-15-20-22-25(2,23(34)38-20)11-8-12-26(22,3)28(18)16-21(27(40-28)13-14-37-17-27)39-24(35)29(36-4,30(31,32)33)19-9-6-5-7-10-19/h5-7,9-10,13-14,18,20-22H,8,11-12,15-17H2,1-4H3/t18-,20-,21-,22+,25+,26+,27+,28-,29-/m1/s1.
What are the key properties of CID 10437868?
CID 10437868 has a molecular weight of 564.60 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10437868 is sourced from PubChem (CID 10437868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).