[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)

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

C71H125N15O24P4 — CID 158377341

IUPAC[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)

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

InChIInChI=1S/C18H30N5O5P.C17H30N3O6P.C14H22N5O6P.C14H23N2O7P.2C4H10/c1-17(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;1-16(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;1-14(2,3)5-8-7(25-26(21,22)23)4-9(24-8)19-6-16-10-11(19)17-13(15)18-12(10)20;1-8-7-16(13(18)15-12(8)17)11-5-9(23-24(19,20)21)10(22-11)6-14(2,3)4;2*1-4(2)3/h9-13H,7-8H2,1-6H3,(H,24,25)(H2,19,20,21);7-8,11-12,14H,9-10H2,1-6H3,(H,22,23)(H2,18,19,21);6-9H,4-5H2,1-3H3,(H2,21,22,23)(H3,15,17,18,20);7,9-11H,5-6H2,1-4H3,(H,15,17,18)(H2,19,20,21);2*4H,1-3H3/t11-,12-,13-;11-,12-,14-;7-,8-,9-;9-,10-,11-;;/m1111../s1

InChIKeyGVJBNWLOFQVCIL-AISIDWHLSA-N

MW1696.76 g/mol

LogP11.56

Rot. Bonds18

About [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)

[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane) (PubChem CID 158377341) has the molecular formula C71H125N15O24P4 and a molecular weight of 1696.76 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] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane).

Molecular Properties

Compound Name	[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)
PubChem CID	158377341
Molecular Formula	C71H125N15O24P4
Molecular Weight	1696.76 g/mol
Exact Mass	1695.80
IUPAC Name	[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)
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)O.CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)C.CC(C)C.Cc1cn([C@H]2C[C@@H](OP(=O)(O)O)[C@@H](CC(C)(C)C)O2)c(=O)[nH]c1=O
InChI	InChI=1S/C18H30N5O5P.C17H30N3O6P.C14H22N5O6P.C14H23N2O7P.2C4H10/c1-17(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;1-16(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;1-14(2,3)5-8-7(25-26(21,22)23)4-9(24-8)19-6-16-10-11(19)17-13(15)18-12(10)20;1-8-7-16(13(18)15-12(8)17)11-5-9(23-24(19,20)21)10(22-11)6-14(2,3)4;21-4(2)3/h9-13H,7-8H2,1-6H3,(H,24,25)(H2,19,20,21);7-8,11-12,14H,9-10H2,1-6H3,(H,22,23)(H2,18,19,21);6-9H,4-5H2,1-3H3,(H2,21,22,23)(H3,15,17,18,20);7,9-11H,5-6H2,1-4H3,(H,15,17,18)(H2,19,20,21);24H,1-3H3/t11-,12-,13-;11-,12-,14-;7-,8-,9-;9-,10-,11-;;/m1111../s1
InChIKey	GVJBNWLOFQVCIL-AISIDWHLSA-N
XLogP	11.56
TPSA	556.94 Å²
H-Bond Donors	11
H-Bond Acceptors	31
Rotatable Bonds	18
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1696.76
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

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] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane) with MolForge

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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] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)?

The IUPAC name of [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane) (CID 158377341) is [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane).

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] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)?

The canonical SMILES for [(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(2,2-dimethylpropyl)oxolan-3-yl] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane) 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)O.CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)C.CC(C)C.Cc1cn([C@H]2C[C@@H](OP(=O)(O)O)[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] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)?

The InChIKey is GVJBNWLOFQVCIL-AISIDWHLSA-N. The full InChI is InChI=1S/C18H30N5O5P.C17H30N3O6P.C14H22N5O6P.C14H23N2O7P.2C4H10/c1-17(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;1-16(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;1-14(2,3)5-8-7(25-26(21,22)23)4-9(24-8)19-6-16-10-11(19)17-13(15)18-12(10)20;1-8-7-16(13(18)15-12(8)17)11-5-9(23-24(19,20)21)10(22-11)6-14(2,3)4;2*1-4(2)3/h9-13H,7-8H2,1-6H3,(H,24,25)(H2,19,20,21);7-8,11-12,14H,9-10H2,1-6H3,(H,22,23)(H2,18,19,21);6-9H,4-5H2,1-3H3,(H2,21,22,23)(H3,15,17,18,20);7,9-11H,5-6H2,1-4H3,(H,15,17,18)(H2,19,20,21);2*4H,1-3H3/t11-,12-,13-;11-,12-,14-;7-,8-,9-;9-,10-,11-;;/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] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane)?

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] dihydrogen 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;[(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;bis(2-methylpropane) is sourced from PubChem (CID 158377341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).