[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

Name: [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C71H121N15O24P4 — CID 158913836

IUPAC[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

SMILESCC(C)(C)C[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP(=O)(O)OC(C)(C)C.Cc1cn([C@H]2C[C@@H](OP(=O)(O)OC(C)(C)C)[C@@H](CC(C)(C)C)O2)c(=O)[nH]c1=O

InChIInChI=1S/C18H30N5O6P.C18H30N5O5P.C18H31N2O7P.C17H30N3O6P/c1-17(2,3)8-11-10(28-30(25,26)29-18(4,5)6)7-12(27-11)23-9-20-13-14(23)21-16(19)22-15(13)24;1-17(2,3)8-12-11(27-29(24,25)28-18(4,5)6)7-13(26-12)23-10-22-14-15(19)20-9-21-16(14)23;1-11-10-20(16(22)19-15(11)21)14-8-12(13(25-14)9-17(2,3)4)26-28(23,24)27-18(5,6)7;1-16(2,3)10-12-11(25-27(22,23)26-17(4,5)6)9-14(24-12)20-8-7-13(18)19-15(20)21/h9-12H,7-8H2,1-6H3,(H,25,26)(H3,19,21,22,24);9-13H,7-8H2,1-6H3,(H,24,25)(H2,19,20,21);10,12-14H,8-9H2,1-7H3,(H,23,24)(H,19,21,22);7-8,11-12,14H,9-10H2,1-6H3,(H,22,23)(H2,18,19,21)/t10-,11-,12-;11-,12-,13-;12-,13-,14-;11-,12-,14-/m1111/s1

InChIKeyJGZFMONMJJESIC-HGJAQOSWSA-N

MW1692.73 g/mol

LogP11.88

Rot. Bonds20

About [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate (PubChem CID 158913836) has the molecular formula C71H121N15O24P4 and a molecular weight of 1692.73 g/mol. Its IUPAC name is [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate.

Molecular Properties

Compound Name	[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
PubChem CID	158913836
Molecular Formula	C71H121N15O24P4
Molecular Weight	1692.73 g/mol
Exact Mass	1691.77
IUPAC Name	[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
SMILES	CC(C)(C)C[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP(=O)(O)OC(C)(C)C.Cc1cn([C@H]2C[C@@H](OP(=O)(O)OC(C)(C)C)[C@@H](CC(C)(C)C)O2)c(=O)[nH]c1=O
InChI	InChI=1S/C18H30N5O6P.C18H30N5O5P.C18H31N2O7P.C17H30N3O6P/c1-17(2,3)8-11-10(28-30(25,26)29-18(4,5)6)7-12(27-11)23-9-20-13-14(23)21-16(19)22-15(13)24;1-17(2,3)8-12-11(27-29(24,25)28-18(4,5)6)7-13(26-12)23-10-22-14-15(19)20-9-21-16(14)23;1-11-10-20(16(22)19-15(11)21)14-8-12(13(25-14)9-17(2,3)4)26-28(23,24)27-18(5,6)7;1-16(2,3)10-12-11(25-27(22,23)26-17(4,5)6)9-14(24-12)20-8-7-13(18)19-15(20)21/h9-12H,7-8H2,1-6H3,(H,25,26)(H3,19,21,22,24);9-13H,7-8H2,1-6H3,(H,24,25)(H2,19,20,21);10,12-14H,8-9H2,1-7H3,(H,23,24)(H,19,21,22);7-8,11-12,14H,9-10H2,1-6H3,(H,22,23)(H2,18,19,21)/t10-,11-,12-;11-,12-,13-;12-,13-,14-;11-,12-,14-/m1111/s1
InChIKey	JGZFMONMJJESIC-HGJAQOSWSA-N
XLogP	11.88
TPSA	534.94 Å²
H-Bond Donors	9
H-Bond Acceptors	33
Rotatable Bonds	20
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1692.73
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Analyze [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate 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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate?

The IUPAC name of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate (CID 158913836) is [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate.

What is the SMILES notation for [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate?

The canonical SMILES for [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate is CC(C)(C)C[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP(=O)(O)OC(C)(C)C.Cc1cn([C@H]2C[C@@H](OP(=O)(O)OC(C)(C)C)[C@@H](CC(C)(C)C)O2)c(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate?

The InChIKey is JGZFMONMJJESIC-HGJAQOSWSA-N. The full InChI is InChI=1S/C18H30N5O6P.C18H30N5O5P.C18H31N2O7P.C17H30N3O6P/c1-17(2,3)8-11-10(28-30(25,26)29-18(4,5)6)7-12(27-11)23-9-20-13-14(23)21-16(19)22-15(13)24;1-17(2,3)8-12-11(27-29(24,25)28-18(4,5)6)7-13(26-12)23-10-22-14-15(19)20-9-21-16(14)23;1-11-10-20(16(22)19-15(11)21)14-8-12(13(25-14)9-17(2,3)4)26-28(23,24)27-18(5,6)7;1-16(2,3)10-12-11(25-27(22,23)26-17(4,5)6)9-14(24-12)20-8-7-13(18)19-15(20)21/h9-12H,7-8H2,1-6H3,(H,25,26)(H3,19,21,22,24);9-13H,7-8H2,1-6H3,(H,24,25)(H2,19,20,21);10,12-14H,8-9H2,1-7H3,(H,23,24)(H,19,21,22);7-8,11-12,14H,9-10H2,1-6H3,(H,22,23)(H2,18,19,21)/t10-,11-,12-;11-,12-,13-;12-,13-,14-;11-,12-,14-/m1111/s1.

What are the key properties of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate?

Where does this data come from?

All data for [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 158913836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).