CID 163093052

C23H30O8 — CID 163093052

IUPAC—
SMILESCO[C@@H]1O[C@H](c2ccoc2)C[C@]12[C@H]1CCC[C@@]3(CO3)[C@@]1(COC(C)=O)[C@@H](O)C(=O)[C@@H]2C
InChIInChI=1S/C23H30O8/c1-13-18(25)19(26)23(12-29-14(2)24)17(5-4-7-21(23)11-30-21)22(13)9-16(31-20(22)27-3)15-6-8-28-10-15/h6,8,10,13,16-17,19-20,26H,4-5,7,9,11-12H2,1-3H3/t13-,16-,17+,19-,20+,21+,22-,23+/m0/s1
InChIKeyKWYPDYJVSNSDPA-PRFUFBJVSA-N
MW434.49 g/mol
LogP2.40
Rot. Bonds4

About CID 163093052

CID 163093052 (PubChem CID 163093052) has the molecular formula C23H30O8 and a molecular weight of 434.49 g/mol.

Molecular Properties

Compound NameCID 163093052
PubChem CID163093052
Molecular FormulaC23H30O8
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name—
SMILESCO[C@@H]1O[C@H](c2ccoc2)C[C@]12[C@H]1CCC[C@@]3(CO3)[C@@]1(COC(C)=O)[C@@H](O)C(=O)[C@@H]2C
InChIInChI=1S/C23H30O8/c1-13-18(25)19(26)23(12-29-14(2)24)17(5-4-7-21(23)11-30-21)22(13)9-16(31-20(22)27-3)15-6-8-28-10-15/h6,8,10,13,16-17,19-20,26H,4-5,7,9,11-12H2,1-3H3/t13-,16-,17+,19-,20+,21+,22-,23+/m0/s1
InChIKeyKWYPDYJVSNSDPA-PRFUFBJVSA-N
XLogP2.40
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163093052?
The IUPAC name of CID 163093052 (CID 163093052) is not available.
What is the SMILES notation for CID 163093052?
The canonical SMILES for CID 163093052 is CO[C@@H]1O[C@H](c2ccoc2)C[C@]12[C@H]1CCC[C@@]3(CO3)[C@@]1(COC(C)=O)[C@@H](O)C(=O)[C@@H]2C.
What is the InChIKey of CID 163093052?
The InChIKey is KWYPDYJVSNSDPA-PRFUFBJVSA-N. The full InChI is InChI=1S/C23H30O8/c1-13-18(25)19(26)23(12-29-14(2)24)17(5-4-7-21(23)11-30-21)22(13)9-16(31-20(22)27-3)15-6-8-28-10-15/h6,8,10,13,16-17,19-20,26H,4-5,7,9,11-12H2,1-3H3/t13-,16-,17+,19-,20+,21+,22-,23+/m0/s1.
What are the key properties of CID 163093052?
CID 163093052 has a molecular weight of 434.49 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163093052 is sourced from PubChem (CID 163093052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).