N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine

C22H45N5O4Si4 — CID 6431574

IUPACN-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2c(ncn2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O2)n1
InChIInChI=1S/C22H45N5O4Si4/c1-32(2,3)26-22-24-20-19(21(25-22)31-35(10,11)12)27(15-23-20)18-13-16(30-34(7,8)9)17(29-18)14-28-33(4,5)6/h15-18H,13-14H2,1-12H3,(H,24,25,26)/t16-,17+,18+/m0/s1
InChIKeyVUFCJNQWISREMT-RCCFBDPRSA-N
MW555.98 g/mol
LogP5.65
Rot. Bonds10

About N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine

N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine (PubChem CID 6431574) has the molecular formula C22H45N5O4Si4 and a molecular weight of 555.98 g/mol. Its IUPAC name is N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine.

Molecular Properties

Compound NameN-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine
PubChem CID6431574
Molecular FormulaC22H45N5O4Si4
Molecular Weight555.98 g/mol
Exact Mass555.25
IUPAC NameN-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2c(ncn2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O2)n1
InChIInChI=1S/C22H45N5O4Si4/c1-32(2,3)26-22-24-20-19(21(25-22)31-35(10,11)12)27(15-23-20)18-13-16(30-34(7,8)9)17(29-18)14-28-33(4,5)6/h15-18H,13-14H2,1-12H3,(H,24,25,26)/t16-,17+,18+/m0/s1
InChIKeyVUFCJNQWISREMT-RCCFBDPRSA-N
XLogP5.65
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.98
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine with MolForge

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Related Compounds

N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine
CID 6431571
9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
CID 91746614
bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate
CID 6428467
1-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6427735
5-methyl-1-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 90912443
1-[(2S,4R,5R,6R)-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]pyrrolidine-2,5-dione
CID 11730245
trimethyl-[(2R,3S,5S)-5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)oxolan-3-yl]oxysilane
CID 6427856
(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 20591849
N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine
CID 91754053
[(2R,3S,5S)-5-(2,6-dichloropurin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 22839121
5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine
CID 23401501
[(2R,3S,5R)-3-acetyloxy-5-[2-(2-trimethylsilylethoxycarbonylamino)-6-(2-trimethylsilyloxyethoxy)purin-9-yl]oxolan-2-yl]methyl acetate
CID 102072045

Frequently Asked Questions

What is the IUPAC name of N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine?
The IUPAC name of N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine (CID 6431574) is N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine.
What is the SMILES notation for N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine?
The canonical SMILES for N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine is C[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2c(ncn2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O2)n1.
What is the InChIKey of N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine?
The InChIKey is VUFCJNQWISREMT-RCCFBDPRSA-N. The full InChI is InChI=1S/C22H45N5O4Si4/c1-32(2,3)26-22-24-20-19(21(25-22)31-35(10,11)12)27(15-23-20)18-13-16(30-34(7,8)9)17(29-18)14-28-33(4,5)6/h15-18H,13-14H2,1-12H3,(H,24,25,26)/t16-,17+,18+/m0/s1.
What are the key properties of N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine?
N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine has a molecular weight of 555.98 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine is sourced from PubChem (CID 6431574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).