2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one

C112H128F2N25O36P5 — CID 161429104

About 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one

2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one (PubChem CID 161429104) has the molecular formula C112H128F2N25O36P5 and a molecular weight of 2593.26 g/mol. Its IUPAC name is 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one.

Molecular Properties

• Compound Name: 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one
• PubChem CID: 161429104
• Molecular Formula: C112H128F2N25O36P5
• Molecular Weight: 2593.26 g/mol
• Exact Mass: 2591.76
• IUPAC Name: 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one
• SMILES: C=C1OC(C)=C(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)O1.C=C1OC(CO)=C(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)O1.C=C1OC(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)=C(C2CCC(F)(F)C2)O1.C=C1OC(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)=C(C2CCCC2)O1.C=C1OC=C(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)O1
• InChI: InChI=1S/C25H28F2N5O7P.C25H30N5O7P.C21H24N5O8P.C21H24N5O7P.C20H22N5O7P/c1-16-38-19(21(39-16)18-7-8-25(26,27)11-18)13-37-40(34,36-12-17-5-3-2-4-6-17)15-35-10-9-32-14-29-20-22(32)30-24(28)31-23(20)33;1-17-36-20(22(37-17)19-9-5-6-10-19)14-35-38(32,34-13-18-7-3-2-4-8-18)16-33-12-11-30-15-27-21-23(30)28-25(26)29-24(21)31;1-14-33-16(9-27)17(34-14)11-32-35(29,31-10-15-5-3-2-4-6-15)13-30-8-7-26-12-23-18-19(26)24-21(22)25-20(18)28;1-14-17(33-15(2)32-14)11-31-34(28,30-10-16-6-4-3-5-7-16)13-29-9-8-26-12-23-18-19(26)24-21(22)25-20(18)27;1-14-29-10-16(32-14)11-31-33(27,30-9-15-5-3-2-4-6-15)13-28-8-7-25-12-22-17-18(25)23-20(21)24-19(17)26/h2-6,14,18H,1,7-13,15H2,(H3,28,30,31,33);2-4,7-8,15,19H,1,5-6,9-14,16H2,(H3,26,28,29,31);2-6,12,27H,1,7-11,13H2,(H3,22,24,25,28);3-7,12H,2,8-11,13H2,1H3,(H3,22,24,25,27);2-6,10,12H,1,7-9,11,13H2,(H3,21,23,24,26)
• InChIKey: VXTRZFBAPIHSKL-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 784.28 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 56
• Rotatable Bonds: 58
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2593.26
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one?

The IUPAC name of 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one (CID 161429104) is 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one.

What is the SMILES notation for 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one?

The canonical SMILES for 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one is C=C1OC(C)=C(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)O1.C=C1OC(CO)=C(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)O1.C=C1OC(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)=C(C2CCC(F)(F)C2)O1.C=C1OC(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)=C(C2CCCC2)O1.C=C1OC=C(COP(=O)(COCCn2cnc3c(=O)[nH]c(N)nc32)OCc2ccccc2)O1.

What is the InChIKey of 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one?

The InChIKey is VXTRZFBAPIHSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N5O7P.C25H30N5O7P.C21H24N5O8P.C21H24N5O7P.C20H22N5O7P/c1-16-38-19(21(39-16)18-7-8-25(26,27)11-18)13-37-40(34,36-12-17-5-3-2-4-6-17)15-35-10-9-32-14-29-20-22(32)30-24(28)31-23(20)33;1-17-36-20(22(37-17)19-9-5-6-10-19)14-35-38(32,34-13-18-7-3-2-4-8-18)16-33-12-11-30-15-27-21-23(30)28-25(26)29-24(21)31;1-14-33-16(9-27)17(34-14)11-32-35(29,31-10-15-5-3-2-4-6-15)13-30-8-7-26-12-23-18-19(26)24-21(22)25-20(18)28;1-14-17(33-15(2)32-14)11-31-34(28,30-10-16-6-4-3-5-7-16)13-29-9-8-26-12-23-18-19(26)24-21(22)25-20(18)27;1-14-29-10-16(32-14)11-31-33(27,30-9-15-5-3-2-4-6-15)13-28-8-7-25-12-22-17-18(25)23-20(21)24-19(17)26/h2-6,14,18H,1,7-13,15H2,(H3,28,30,31,33);2-4,7-8,15,19H,1,5-6,9-14,16H2,(H3,26,28,29,31);2-6,12,27H,1,7-11,13H2,(H3,22,24,25,28);3-7,12H,2,8-11,13H2,1H3,(H3,22,24,25,27);2-6,10,12H,1,7-9,11,13H2,(H3,21,23,24,26).

What are the key properties of 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one?

2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one has a molecular weight of 2593.26 g/mol, XLogP of 15.43, 58 rotatable bonds, 11 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[2-[[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(hydroxymethyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one is sourced from PubChem (CID 161429104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).