(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

C43H93N7O40P12 — CID 160728827

IUPAC(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
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(NC1CCCCC1)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
InChIInChI=1S/C9H12N2O7P2.C9H23NO7P2.C8H19NO6P2.C7H11NO7P2.C7H17NO6P2.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)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;9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6;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);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);6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14);5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyRUBHXOCLRHJAFH-UHFFFAOYSA-N
MW1719.91 g/mol
LogP-0.17
Rot. Bonds29

About (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

(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 (PubChem CID 160728827) has the molecular formula C43H93N7O40P12 and a molecular weight of 1719.91 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160728827
Molecular FormulaC43H93N7O40P12
Molecular Weight1719.91 g/mol
Exact Mass1719.23
IUPAC Name(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
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(NC1CCCCC1)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
InChIInChI=1S/C9H12N2O7P2.C9H23NO7P2.C8H19NO6P2.C7H11NO7P2.C7H17NO6P2.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)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;9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6;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);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);6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14);5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyRUBHXOCLRHJAFH-UHFFFAOYSA-N
XLogP-0.17
TPSA854.79 Ų
H-Bond Donors31
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.91
LogP ≤ 5-0.17
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1023

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;[(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 with MolForge

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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;[(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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 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(NC1CCCCC1)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.
What is the InChIKey of (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?
The InChIKey is RUBHXOCLRHJAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O7P2.C9H23NO7P2.C8H19NO6P2.C7H11NO7P2.C7H17NO6P2.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)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;9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6;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);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);6-8H,1-5H2,(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;[(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?
(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 has a molecular weight of 1719.91 g/mol, XLogP of -0.17, 29 rotatable bonds, 31 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160728827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).