(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid

C50H106N8O47P14 — CID 158584083

IUPAC(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
SMILESCCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.NCCC(O)(P(=O)(O)O)P(=O)(O)O.O=P(O)(O)C(CC1CCCCCC1)P(=O)(O)O.O=P(O)(O)C(NC1CCCCCC1)P(=O)(O)O.O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O.O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
InChIInChI=1S/C9H12N2O7P2.C9H23NO7P2.C9H20O6P2.C8H19NO6P2.C7H11NO7P2.C5H10N2O7P2.C3H11NO7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8;1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;10-16(11,12)9(17(13,14)15)7-8-5-3-1-2-4-6-8;10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7;9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;4-2-1-3(5,12(6,7)8)13(9,10)11/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18);11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);8-9H,1-7H2,(H2,10,11,12)(H2,13,14,15);7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15);1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyHTPKLAKEXCYRDN-UHFFFAOYSA-N
MW2005.04 g/mol
LogP0.19
Rot. Bonds33

About (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid

(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid (PubChem CID 158584083) has the molecular formula C50H106N8O47P14 and a molecular weight of 2005.04 g/mol. Its IUPAC name is (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid.

Molecular Properties

Compound Name(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
PubChem CID158584083
Molecular FormulaC50H106N8O47P14
Molecular Weight2005.04 g/mol
Exact Mass2004.25
IUPAC Name(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
SMILESCCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.NCCC(O)(P(=O)(O)O)P(=O)(O)O.O=P(O)(O)C(CC1CCCCCC1)P(=O)(O)O.O=P(O)(O)C(NC1CCCCCC1)P(=O)(O)O.O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O.O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
InChIInChI=1S/C9H12N2O7P2.C9H23NO7P2.C9H20O6P2.C8H19NO6P2.C7H11NO7P2.C5H10N2O7P2.C3H11NO7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8;1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;10-16(11,12)9(17(13,14)15)7-8-5-3-1-2-4-6-8;10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7;9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;4-2-1-3(5,12(6,7)8)13(9,10)11/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18);11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);8-9H,1-7H2,(H2,10,11,12)(H2,13,14,15);7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15);1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyHTPKLAKEXCYRDN-UHFFFAOYSA-N
XLogP0.19
TPSA995.87 Ų
H-Bond Donors35
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.04
LogP ≤ 50.19
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid with MolForge

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Related Compounds

(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;[(cyclohexylamino)-phosphonomethyl]phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
CID 160728827
3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine
CID 159275965
4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine
CID 159442569
[1-hydroxy-3-[methyl(3-pyridin-3-ylpropyl)amino]-1-phosphonopropyl]phosphonic acid
CID 19776429
calcium;hydride;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
CID 173032370
3-ethyloctan-3-ylphosphonic acid;2-imidazo[1,2-a]pyridin-3-ylethanol
CID 158088035
sodium;hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate;trihydrate
CID 45114147
5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;1-(carboxymethyl)benzo[g]indole-2-carboxylic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
CID 161264385
(2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide
CID 97135605
2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
CID 114795036
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CID 154568473
N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-3-ylmethyl)azepane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid?
The IUPAC name of (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid (CID 158584083) is (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid.
What is the SMILES notation for (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid?
The canonical SMILES for (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid is CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.NCCC(O)(P(=O)(O)O)P(=O)(O)O.O=P(O)(O)C(CC1CCCCCC1)P(=O)(O)O.O=P(O)(O)C(NC1CCCCCC1)P(=O)(O)O.O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O.O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O.
What is the InChIKey of (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid?
The InChIKey is HTPKLAKEXCYRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O7P2.C9H23NO7P2.C9H20O6P2.C8H19NO6P2.C7H11NO7P2.C5H10N2O7P2.C3H11NO7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8;1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;10-16(11,12)9(17(13,14)15)7-8-5-3-1-2-4-6-8;10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7;9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;4-2-1-3(5,12(6,7)8)13(9,10)11/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18);11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);8-9H,1-7H2,(H2,10,11,12)(H2,13,14,15);7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15);1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11).
What are the key properties of (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid?
(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid has a molecular weight of 2005.04 g/mol, XLogP of 0.19, 33 rotatable bonds, 35 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid is sourced from PubChem (CID 158584083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).