[(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate

C24H43N5O7Si2 — CID 137330992

IUPAC[(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1C(O)[C@@H](CO[Si](O[SiH](C(C)C)C(C)C)(C(C)C)C(C)C)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C24H43N5O7Si2/c1-12(2)37(13(3)4)36-38(14(5)6,15(7)8)33-10-17-19(31)20(34-16(9)30)23(35-17)29-11-26-18-21(29)27-24(25)28-22(18)32/h11-15,17,19-20,23,31,37H,10H2,1-9H3,(H3,25,27,28,32)/t17-,19?,20-,23-/m1/s1
InChIKeyUISNSBQIGFLCTF-NYTUIEMASA-N
MW569.81 g/mol
LogP2.73
Rot. Bonds11

About [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate

[(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate (PubChem CID 137330992) has the molecular formula C24H43N5O7Si2 and a molecular weight of 569.81 g/mol. Its IUPAC name is [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate
PubChem CID137330992
Molecular FormulaC24H43N5O7Si2
Molecular Weight569.81 g/mol
Exact Mass569.27
IUPAC Name[(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1C(O)[C@@H](CO[Si](O[SiH](C(C)C)C(C)C)(C(C)C)C(C)C)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C24H43N5O7Si2/c1-12(2)37(13(3)4)36-38(14(5)6,15(7)8)33-10-17-19(31)20(34-16(9)30)23(35-17)29-11-26-18-21(29)27-24(25)28-22(18)32/h11-15,17,19-20,23,31,37H,10H2,1-9H3,(H3,25,27,28,32)/t17-,19?,20-,23-/m1/s1
InChIKeyUISNSBQIGFLCTF-NYTUIEMASA-N
XLogP2.73
TPSA163.81 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.81
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate with MolForge

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Related Compounds

[(2R,3R,4R)-4-acetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 135870977
[2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] acetate
CID 170421052
[(2S,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 136752831
[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-methoxyoxolan-3-yl] acetate
CID 136994610
[(2R,3S,5R)-3,4-diacetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl benzoate
CID 135978131
2-amino-9-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-1H-purin-6-one
CID 136733780
[2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] octanoate
CID 136998534
2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824
2-amino-9-[(2S,5S)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 174258871
3-[(2R,3R,4S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-N-methylpropanamide
CID 175544394
2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 135418169
2-amino-9-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 137067944

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate (CID 137330992) is [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate is CC(=O)O[C@@H]1C(O)[C@@H](CO[Si](O[SiH](C(C)C)C(C)C)(C(C)C)C(C)C)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate?
The InChIKey is UISNSBQIGFLCTF-NYTUIEMASA-N. The full InChI is InChI=1S/C24H43N5O7Si2/c1-12(2)37(13(3)4)36-38(14(5)6,15(7)8)33-10-17-19(31)20(34-16(9)30)23(35-17)29-11-26-18-21(29)27-24(25)28-22(18)32/h11-15,17,19-20,23,31,37H,10H2,1-9H3,(H3,25,27,28,32)/t17-,19?,20-,23-/m1/s1.
What are the key properties of [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate?
[(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate has a molecular weight of 569.81 g/mol, XLogP of 2.73, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[[di(propan-2-yl)silyloxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl] acetate is sourced from PubChem (CID 137330992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).