(6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid

C7H18N2O7P2 — CID 57238811

IUPAC(6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid
SMILES[H]/N=C(/CCCC(O)(P(=O)(O)O)P(=O)(O)O)C(C)N
InChIInChI=1S/C7H18N2O7P2/c1-5(8)6(9)3-2-4-7(10,17(11,12)13)18(14,15)16/h5,9-10H,2-4,8H2,1H3,(H2,11,12,13)(H2,14,15,16)/b9-6-
InChIKeyMDBHKEYEGVDMLW-TWGQIWQCSA-N
MW304.18 g/mol
LogP-0.47
Rot. Bonds7

About (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid

(6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid (PubChem CID 57238811) has the molecular formula C7H18N2O7P2 and a molecular weight of 304.18 g/mol. Its IUPAC name is (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid.

Molecular Properties

Compound Name(6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid
PubChem CID57238811
Molecular FormulaC7H18N2O7P2
Molecular Weight304.18 g/mol
Exact Mass304.06
IUPAC Name(6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid
SMILES[H]/N=C(/CCCC(O)(P(=O)(O)O)P(=O)(O)O)C(C)N
InChIInChI=1S/C7H18N2O7P2/c1-5(8)6(9)3-2-4-7(10,17(11,12)13)18(14,15)16/h5,9-10H,2-4,8H2,1H3,(H2,11,12,13)(H2,14,15,16)/b9-6-
InChIKeyMDBHKEYEGVDMLW-TWGQIWQCSA-N
XLogP-0.47
TPSA185.16 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic 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

(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hexane-1,5-diamine
CID 174676436
[1-hydroxy-3-imino-4-(methylamino)-1-phosphonopentyl]phosphonic acid
CID 57305656
[1-hydroxy-4-(2-methylpropylamino)-1-phosphonobutyl]phosphonic acid
CID 162426140
3-imino-6-(propan-2-ylideneamino)hexan-2-amine
CID 155364820
calcium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 173126792
(1-dimethylphosphoryl-1,6-dihydroxy-6,6-diphosphonohexyl)phosphonic acid
CID 146589445
disodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 172998840
(1-hydroxy-1-phosphonohenicosyl)phosphonic acid
CID 57218930
sodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride;hydrate
CID 173035382
[1-hydroxy-4-[hydroxy(methyl)phosphoryl]-1-phosphonobutyl]phosphonic acid
CID 22164393
(10-hydroxy-10,10-diphosphonodecyl)-trimethylazanium
CID 157356685
CID 130206263
CID 130206263

Frequently Asked Questions

What is the IUPAC name of (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid?
The IUPAC name of (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid (CID 57238811) is (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid.
What is the SMILES notation for (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid?
The canonical SMILES for (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid is [H]/N=C(/CCCC(O)(P(=O)(O)O)P(=O)(O)O)C(C)N.
What is the InChIKey of (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid?
The InChIKey is MDBHKEYEGVDMLW-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H18N2O7P2/c1-5(8)6(9)3-2-4-7(10,17(11,12)13)18(14,15)16/h5,9-10H,2-4,8H2,1H3,(H2,11,12,13)(H2,14,15,16)/b9-6-.
What are the key properties of (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid?
(6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid has a molecular weight of 304.18 g/mol, XLogP of -0.47, 7 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid is sourced from PubChem (CID 57238811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).