CID 11893070

C18H25O7- — CID 11893070

IUPAC—
SMILESO=C([O-])[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C18H26O7/c19-15(20)13-11-12(23-17(22-11)7-3-1-4-8-17)14-16(21-13)25-18(24-14)9-5-2-6-10-18/h11-14,16H,1-10H2,(H,19,20)/p-1/t11-,12+,13-,14-,16+/m1/s1
InChIKeyDKIDUEFGXKKXNI-SGPHBRAGSA-M
MW353.39 g/mol
LogP0.98
Rot. Bonds1

About CID 11893070

CID 11893070 (PubChem CID 11893070) has the molecular formula C18H25O7- and a molecular weight of 353.39 g/mol.

Molecular Properties

Compound NameCID 11893070
PubChem CID11893070
Molecular FormulaC18H25O7-
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name—
SMILESO=C([O-])[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C18H26O7/c19-15(20)13-11-12(23-17(22-11)7-3-1-4-8-17)14-16(21-13)25-18(24-14)9-5-2-6-10-18/h11-14,16H,1-10H2,(H,19,20)/p-1/t11-,12+,13-,14-,16+/m1/s1
InChIKeyDKIDUEFGXKKXNI-SGPHBRAGSA-M
XLogP0.98
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 11893070?
The IUPAC name of CID 11893070 (CID 11893070) is not available.
What is the SMILES notation for CID 11893070?
The canonical SMILES for CID 11893070 is O=C([O-])[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21.
What is the InChIKey of CID 11893070?
The InChIKey is DKIDUEFGXKKXNI-SGPHBRAGSA-M. The full InChI is InChI=1S/C18H26O7/c19-15(20)13-11-12(23-17(22-11)7-3-1-4-8-17)14-16(21-13)25-18(24-14)9-5-2-6-10-18/h11-14,16H,1-10H2,(H,19,20)/p-1/t11-,12+,13-,14-,16+/m1/s1.
What are the key properties of CID 11893070?
CID 11893070 has a molecular weight of 353.39 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11893070 is sourced from PubChem (CID 11893070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).