CID 24838407

C42H62KNa2O16 — CID 24838407

About CID 24838407

CID 24838407 (PubChem CID 24838407) has the molecular formula C42H62KNa2O16 and a molecular weight of 908.02 g/mol.

Molecular Properties

• Compound Name: CID 24838407
• PubChem CID: 24838407
• Molecular Formula: C42H62KNa2O16
• Molecular Weight: 908.02 g/mol
• Exact Mass: 907.35
• IUPAC Name: —
• SMILES: CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1.[K].[Na].[Na]
• InChI: InChI=1S/C42H62O16.K.2Na/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-34-27(48)25(46)28(30(58-34)33(51)52)56-35-26(47)23(44)24(45)29(57-35)32(49)50;;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)
• InChIKey: HQEDESIMKBWGLA-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 267.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	908.02
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'saponine_derivative', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 24838407?

The IUPAC name of CID 24838407 (CID 24838407) is not available.

What is the SMILES notation for CID 24838407?

The canonical SMILES for CID 24838407 is CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1.[K].[Na].[Na].

What is the InChIKey of CID 24838407?

The InChIKey is HQEDESIMKBWGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H62O16.K.2Na/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-34-27(48)25(46)28(30(58-34)33(51)52)56-35-26(47)23(44)24(45)29(57-35)32(49)50;;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;;.

What are the key properties of CID 24838407?

CID 24838407 has a molecular weight of 908.02 g/mol, XLogP of 1.10, 7 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for CID 24838407 is sourced from PubChem (CID 24838407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).