2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione

C28H55N5O6Si3 — CID 135488127

IUPAC2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H55N5O6Si3/c1-26(2,3)40(10,11)36-16-17-19(38-41(12,13)27(4,5)6)20(39-42(14,15)28(7,8)9)23(37-17)33-21-18(30-25(33)35)22(34)32-24(29)31-21/h17,19-20,23H,16H2,1-15H3,(H,30,35)(H3,29,31,32,34)/t17-,19-,20-,23-/m1/s1
InChIKeyCYWJVOCXRVZXGB-ZDXOVATRSA-N
MW642.04 g/mol
LogP5.70
Rot. Bonds8

About 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione

2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione (PubChem CID 135488127) has the molecular formula C28H55N5O6Si3 and a molecular weight of 642.04 g/mol. Its IUPAC name is 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione
PubChem CID135488127
Molecular FormulaC28H55N5O6Si3
Molecular Weight642.04 g/mol
Exact Mass641.35
IUPAC Name2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H55N5O6Si3/c1-26(2,3)40(10,11)36-16-17-19(38-41(12,13)27(4,5)6)20(39-42(14,15)28(7,8)9)23(37-17)33-21-18(30-25(33)35)22(34)32-24(29)31-21/h17,19-20,23H,16H2,1-15H3,(H,30,35)(H3,29,31,32,34)/t17-,19-,20-,23-/m1/s1
InChIKeyCYWJVOCXRVZXGB-ZDXOVATRSA-N
XLogP5.70
TPSA146.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.04
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,3,5-triazepane-2,4,6,7-tetrone
CID 135065849
2-amino-9-[(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydrazinyloxolan-2-yl]-1H-purin-6-one
CID 137059272
[(2R,3R,4R,5R)-4-acetyloxy-5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 136593115
2-amino-9-[(2R,3R,4S)-5-(2-ethyl-2-methylbutyl)-3,4-dihydroxyoxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 137130563
1-[(2S,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione
CID 10556809
2-amino-8-bromo-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 135540571
[5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl methyl hydrogen phosphate
CID 137012424
5-amino-3-[(2R,3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137190221
9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-fluoropurin-6-amine
CID 23656642
[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,2-dimethylpropanoyloxy)oxolan-3-yl] 2,2-dimethylpropanoate
CID 176589166
1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
CID 67566728
2-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 135433642

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione?
The IUPAC name of 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione (CID 135488127) is 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione?
The InChIKey is CYWJVOCXRVZXGB-ZDXOVATRSA-N. The full InChI is InChI=1S/C28H55N5O6Si3/c1-26(2,3)40(10,11)36-16-17-19(38-41(12,13)27(4,5)6)20(39-42(14,15)28(7,8)9)23(37-17)33-21-18(30-25(33)35)22(34)32-24(29)31-21/h17,19-20,23H,16H2,1-15H3,(H,30,35)(H3,29,31,32,34)/t17-,19-,20-,23-/m1/s1.
What are the key properties of 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione?
2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione has a molecular weight of 642.04 g/mol, XLogP of 5.70, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 135488127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).