CID 58701586

C34H43FN2O5 — CID 58701586

IUPAC—
SMILESCCc1cccc(Cn2cc3c(n2)C=C2CC[C@H]4[C@@H]5C[C@@H](C)[C@@]6(OCOC67COCO7)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]2(C)C3)c1
InChIInChI=1S/C34H43FN2O5/c1-5-22-7-6-8-23(12-22)16-37-17-24-14-30(3)25(13-28(24)36-37)9-10-26-27-11-21(2)34(31(27,4)15-29(38)33(26,30)35)32(41-20-42-34)18-39-19-40-32/h6-8,12-13,17,21,26-27,29,38H,5,9-11,14-16,18-20H2,1-4H3/t21-,26+,27+,29+,30+,31+,32?,33+,34-/m1/s1
InChIKeyXLJWNINQPWLZKM-YVWGTMCUSA-N
MW578.73 g/mol
LogP5.43
Rot. Bonds3

About CID 58701586

CID 58701586 (PubChem CID 58701586) has the molecular formula C34H43FN2O5 and a molecular weight of 578.73 g/mol.

Molecular Properties

Compound NameCID 58701586
PubChem CID58701586
Molecular FormulaC34H43FN2O5
Molecular Weight578.73 g/mol
Exact Mass578.32
IUPAC Name—
SMILESCCc1cccc(Cn2cc3c(n2)C=C2CC[C@H]4[C@@H]5C[C@@H](C)[C@@]6(OCOC67COCO7)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]2(C)C3)c1
InChIInChI=1S/C34H43FN2O5/c1-5-22-7-6-8-23(12-22)16-37-17-24-14-30(3)25(13-28(24)36-37)9-10-26-27-11-21(2)34(31(27,4)15-29(38)33(26,30)35)32(41-20-42-34)18-39-19-40-32/h6-8,12-13,17,21,26-27,29,38H,5,9-11,14-16,18-20H2,1-4H3/t21-,26+,27+,29+,30+,31+,32?,33+,34-/m1/s1
InChIKeyXLJWNINQPWLZKM-YVWGTMCUSA-N
XLogP5.43
TPSA74.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.73
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 58701586?
The IUPAC name of CID 58701586 (CID 58701586) is not available.
What is the SMILES notation for CID 58701586?
The canonical SMILES for CID 58701586 is CCc1cccc(Cn2cc3c(n2)C=C2CC[C@H]4[C@@H]5C[C@@H](C)[C@@]6(OCOC67COCO7)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]2(C)C3)c1.
What is the InChIKey of CID 58701586?
The InChIKey is XLJWNINQPWLZKM-YVWGTMCUSA-N. The full InChI is InChI=1S/C34H43FN2O5/c1-5-22-7-6-8-23(12-22)16-37-17-24-14-30(3)25(13-28(24)36-37)9-10-26-27-11-21(2)34(31(27,4)15-29(38)33(26,30)35)32(41-20-42-34)18-39-19-40-32/h6-8,12-13,17,21,26-27,29,38H,5,9-11,14-16,18-20H2,1-4H3/t21-,26+,27+,29+,30+,31+,32?,33+,34-/m1/s1.
What are the key properties of CID 58701586?
CID 58701586 has a molecular weight of 578.73 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58701586 is sourced from PubChem (CID 58701586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).