CID 6380648

C16H25GeNO8 — CID 6380648

IUPAC—
SMILESCOC(=O)c1ccccc1C(=O)OCC(O)CN(CCO)CCO.O.[Ge]
InChIInChI=1S/C16H23NO7.Ge.H2O/c1-23-15(21)13-4-2-3-5-14(13)16(22)24-11-12(20)10-17(6-8-18)7-9-19;;/h2-5,12,18-20H,6-11H2,1H3;;1H2
InChIKeyRLVFSVVTHJSDJL-UHFFFAOYSA-N
MW431.99 g/mol
LogP-1.93
Rot. Bonds10

About CID 6380648

CID 6380648 (PubChem CID 6380648) has the molecular formula C16H25GeNO8 and a molecular weight of 431.99 g/mol.

Molecular Properties

Compound NameCID 6380648
PubChem CID6380648
Molecular FormulaC16H25GeNO8
Molecular Weight431.99 g/mol
Exact Mass433.08
IUPAC Name—
SMILESCOC(=O)c1ccccc1C(=O)OCC(O)CN(CCO)CCO.O.[Ge]
InChIInChI=1S/C16H23NO7.Ge.H2O/c1-23-15(21)13-4-2-3-5-14(13)16(22)24-11-12(20)10-17(6-8-18)7-9-19;;/h2-5,12,18-20H,6-11H2,1H3;;1H2
InChIKeyRLVFSVVTHJSDJL-UHFFFAOYSA-N
XLogP-1.93
TPSA148.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
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dimethyl benzene-1,2-dicarboxylate;propane-1,2,3-triol
CID 66751343
methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
CID 82969097
dimethyl benzene-1,2-dicarboxylate;propane-1,2-diol
CID 70524314
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
CID 138401907
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866
1-O-(2,4-dihydroxybutyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
CID 174428946
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457

Frequently Asked Questions

What is the IUPAC name of CID 6380648?
The IUPAC name of CID 6380648 (CID 6380648) is not available.
What is the SMILES notation for CID 6380648?
The canonical SMILES for CID 6380648 is COC(=O)c1ccccc1C(=O)OCC(O)CN(CCO)CCO.O.[Ge].
What is the InChIKey of CID 6380648?
The InChIKey is RLVFSVVTHJSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO7.Ge.H2O/c1-23-15(21)13-4-2-3-5-14(13)16(22)24-11-12(20)10-17(6-8-18)7-9-19;;/h2-5,12,18-20H,6-11H2,1H3;;1H2.
What are the key properties of CID 6380648?
CID 6380648 has a molecular weight of 431.99 g/mol, XLogP of -1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6380648 is sourced from PubChem (CID 6380648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).