bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid

C26H40N6O10S — CID 24838578

IUPACbis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid
SMILESCOc1ccc(OC)c2c1CC(O)C(N=C(N)N)C2.COc1ccc(OC)c2c1CC(O)C(N=C(N)N)C2.O=S(=O)(O)O
InChIInChI=1S/2C13H19N3O3.H2O4S/c2*1-18-11-3-4-12(19-2)8-6-10(17)9(5-7(8)11)16-13(14)15;1-5(2,3)4/h2*3-4,9-10,17H,5-6H2,1-2H3,(H4,14,15,16);(H2,1,2,3,4)
InChIKeyHEFODDYRLRPIDE-UHFFFAOYSA-N
MW628.71 g/mol
LogP-1.04
Rot. Bonds6

About bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid

bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid (PubChem CID 24838578) has the molecular formula C26H40N6O10S and a molecular weight of 628.71 g/mol. Its IUPAC name is bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid.

Molecular Properties

Compound Namebis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid
PubChem CID24838578
Molecular FormulaC26H40N6O10S
Molecular Weight628.71 g/mol
Exact Mass628.25
IUPAC Namebis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid
SMILESCOc1ccc(OC)c2c1CC(O)C(N=C(N)N)C2.COc1ccc(OC)c2c1CC(O)C(N=C(N)N)C2.O=S(=O)(O)O
InChIInChI=1S/2C13H19N3O3.H2O4S/c2*1-18-11-3-4-12(19-2)8-6-10(17)9(5-7(8)11)16-13(14)15;1-5(2,3)4/h2*3-4,9-10,17H,5-6H2,1-2H3,(H4,14,15,16);(H2,1,2,3,4)
InChIKeyHEFODDYRLRPIDE-UHFFFAOYSA-N
XLogP-1.04
TPSA280.78 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.71
LogP ≤ 5-1.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
CID 86124271
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 5073341
(2S)-5,8-dimethoxy-1,2-dihydronaphthalen-2-ol
CID 101157510
3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 3029499
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
[2-methoxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] hydrogen sulfate
CID 71579211
2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid
CID 72716226
(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
CID 158989698
(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213240
2-amino-3,6-dimethoxybenzenesulfonic acid
CID 19746586
methyl 4,7-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 21191708
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719

Frequently Asked Questions

What is the IUPAC name of bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid?
The IUPAC name of bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid (CID 24838578) is bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid.
What is the SMILES notation for bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid?
The canonical SMILES for bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid is COc1ccc(OC)c2c1CC(O)C(N=C(N)N)C2.COc1ccc(OC)c2c1CC(O)C(N=C(N)N)C2.O=S(=O)(O)O.
What is the InChIKey of bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid?
The InChIKey is HEFODDYRLRPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19N3O3.H2O4S/c2*1-18-11-3-4-12(19-2)8-6-10(17)9(5-7(8)11)16-13(14)15;1-5(2,3)4/h2*3-4,9-10,17H,5-6H2,1-2H3,(H4,14,15,16);(H2,1,2,3,4).
What are the key properties of bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid?
bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid has a molecular weight of 628.71 g/mol, XLogP of -1.04, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid is sourced from PubChem (CID 24838578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).