CID 163072868

C27H37NO7 — CID 163072868

IUPAC—
SMILESCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1
InChIInChI=1S/C27H37NO7/c1-2-17-30-19-11-9-18(10-12-19)28-24(29)22-20-21(33-26(32-20)13-5-3-6-14-26)23-25(31-22)35-27(34-23)15-7-4-8-16-27/h9-12,20-23,25H,2-8,13-17H2,1H3,(H,28,29)/t20-,21-,22+,23-,25+/m0/s1
InChIKeyYHKHXLHKKBVCTI-LYVDORBWSA-N
MW487.59 g/mol
LogP4.66
Rot. Bonds5

About CID 163072868

CID 163072868 (PubChem CID 163072868) has the molecular formula C27H37NO7 and a molecular weight of 487.59 g/mol.

Molecular Properties

Compound NameCID 163072868
PubChem CID163072868
Molecular FormulaC27H37NO7
Molecular Weight487.59 g/mol
Exact Mass487.26
IUPAC Name—
SMILESCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1
InChIInChI=1S/C27H37NO7/c1-2-17-30-19-11-9-18(10-12-19)28-24(29)22-20-21(33-26(32-20)13-5-3-6-14-26)23-25(31-22)35-27(34-23)15-7-4-8-16-27/h9-12,20-23,25H,2-8,13-17H2,1H3,(H,28,29)/t20-,21-,22+,23-,25+/m0/s1
InChIKeyYHKHXLHKKBVCTI-LYVDORBWSA-N
XLogP4.66
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 163072868?
The IUPAC name of CID 163072868 (CID 163072868) is not available.
What is the SMILES notation for CID 163072868?
The canonical SMILES for CID 163072868 is CCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1.
What is the InChIKey of CID 163072868?
The InChIKey is YHKHXLHKKBVCTI-LYVDORBWSA-N. The full InChI is InChI=1S/C27H37NO7/c1-2-17-30-19-11-9-18(10-12-19)28-24(29)22-20-21(33-26(32-20)13-5-3-6-14-26)23-25(31-22)35-27(34-23)15-7-4-8-16-27/h9-12,20-23,25H,2-8,13-17H2,1H3,(H,28,29)/t20-,21-,22+,23-,25+/m0/s1.
What are the key properties of CID 163072868?
CID 163072868 has a molecular weight of 487.59 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163072868 is sourced from PubChem (CID 163072868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).