CID 58469508

C33H51N2O6 — CID 58469508

IUPAC—
SMILESCNC(=O)O[C@@H]([C]1C[C@@H](C)[C@H]2[C](O1)[C@H](O)[C@@]1(C)[C]3CC[C@H]4C(C)(C)C(OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)C
InChIInChI=1S/C33H51N2O6/c1-17(2)24(41-28(38)35-8)19-15-18(3)23-25(39-19)26(36)31(7)21-10-9-20-29(4,5)22(40-27(34)37)11-12-32(20)16-33(21,32)14-13-30(23,31)6/h17-18,20,22-24,26,36H,9-16H2,1-8H3,(H2,34,37)(H,35,38)/t18-,20+,22?,23+,24-,26+,30-,31-,32-,33+/m1/s1
InChIKeyQZEYGSLMJCBXCW-TZIGEFDRSA-N
MW571.78 g/mol
LogP5.93
Rot. Bonds4

About CID 58469508

CID 58469508 (PubChem CID 58469508) has the molecular formula C33H51N2O6 and a molecular weight of 571.78 g/mol.

Molecular Properties

Compound NameCID 58469508
PubChem CID58469508
Molecular FormulaC33H51N2O6
Molecular Weight571.78 g/mol
Exact Mass571.37
IUPAC Name—
SMILESCNC(=O)O[C@@H]([C]1C[C@@H](C)[C@H]2[C](O1)[C@H](O)[C@@]1(C)[C]3CC[C@H]4C(C)(C)C(OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)C
InChIInChI=1S/C33H51N2O6/c1-17(2)24(41-28(38)35-8)19-15-18(3)23-25(39-19)26(36)31(7)21-10-9-20-29(4,5)22(40-27(34)37)11-12-32(20)16-33(21,32)14-13-30(23,31)6/h17-18,20,22-24,26,36H,9-16H2,1-8H3,(H2,34,37)(H,35,38)/t18-,20+,22?,23+,24-,26+,30-,31-,32-,33+/m1/s1
InChIKeyQZEYGSLMJCBXCW-TZIGEFDRSA-N
XLogP5.93
TPSA120.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.78
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58469508?
The IUPAC name of CID 58469508 (CID 58469508) is not available.
What is the SMILES notation for CID 58469508?
The canonical SMILES for CID 58469508 is CNC(=O)O[C@@H]([C]1C[C@@H](C)[C@H]2[C](O1)[C@H](O)[C@@]1(C)[C]3CC[C@H]4C(C)(C)C(OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)C.
What is the InChIKey of CID 58469508?
The InChIKey is QZEYGSLMJCBXCW-TZIGEFDRSA-N. The full InChI is InChI=1S/C33H51N2O6/c1-17(2)24(41-28(38)35-8)19-15-18(3)23-25(39-19)26(36)31(7)21-10-9-20-29(4,5)22(40-27(34)37)11-12-32(20)16-33(21,32)14-13-30(23,31)6/h17-18,20,22-24,26,36H,9-16H2,1-8H3,(H2,34,37)(H,35,38)/t18-,20+,22?,23+,24-,26+,30-,31-,32-,33+/m1/s1.
What are the key properties of CID 58469508?
CID 58469508 has a molecular weight of 571.78 g/mol, XLogP of 5.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58469508 is sourced from PubChem (CID 58469508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).