CID 170997387

H52N10O41W12-60 — CID 170997387

IUPAC—
SMILESN.N.N.N.N.N.N.N.N.N.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/10H3N.22H2O.19O.12W/h10*1H3;22*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;19*-2;;;;;;;;;;;;/p-22
InChIKeyQURXGUSHRDZNLX-UHFFFAOYSA-A
MW3054.52 g/mol
LogP-4.56
Rot. Bonds

About CID 170997387

CID 170997387 (PubChem CID 170997387) has the molecular formula H52N10O41W12-60 and a molecular weight of 3054.52 g/mol.

Molecular Properties

Compound NameCID 170997387
PubChem CID170997387
Molecular FormulaH52N10O41W12-60
Molecular Weight3054.52 g/mol
Exact Mass3055.67
IUPAC Name—
SMILESN.N.N.N.N.N.N.N.N.N.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/10H3N.22H2O.19O.12W/h10*1H3;22*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;19*-2;;;;;;;;;;;;/p-22
InChIKeyQURXGUSHRDZNLX-UHFFFAOYSA-A
XLogP-4.56
TPSA1551.50 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003054.52
LogP ≤ 5-4.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

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Frequently Asked Questions

What is the IUPAC name of CID 170997387?
The IUPAC name of CID 170997387 (CID 170997387) is not available.
What is the SMILES notation for CID 170997387?
The canonical SMILES for CID 170997387 is N.N.N.N.N.N.N.N.N.N.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of CID 170997387?
The InChIKey is QURXGUSHRDZNLX-UHFFFAOYSA-A. The full InChI is InChI=1S/10H3N.22H2O.19O.12W/h10*1H3;22*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;19*-2;;;;;;;;;;;;/p-22.
What are the key properties of CID 170997387?
CID 170997387 has a molecular weight of 3054.52 g/mol, XLogP of -4.56, 0 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170997387 is sourced from PubChem (CID 170997387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).