[(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol

C22H43N5O4Si2 — CID 10720127

IUPAC[(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2C(N)=NC=NC21
InChIInChI=1S/C22H43N5O4Si2/c1-21(2,3)32(7,8)30-16-14(11-28)29-20(17(16)31-33(9,10)22(4,5)6)27-13-26-15-18(23)24-12-25-19(15)27/h12-17,19-20,28H,11H2,1-10H3,(H2,23,24,25)/t14-,15?,16-,17-,19?,20-/m1/s1
InChIKeyUZDGEAOQJTWSMQ-VDPBPCHWSA-N
MW497.79 g/mol
LogP2.92
Rot. Bonds6

About [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol

[(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol (PubChem CID 10720127) has the molecular formula C22H43N5O4Si2 and a molecular weight of 497.79 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol
PubChem CID10720127
Molecular FormulaC22H43N5O4Si2
Molecular Weight497.79 g/mol
Exact Mass497.29
IUPAC Name[(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2C(N)=NC=NC21
InChIInChI=1S/C22H43N5O4Si2/c1-21(2,3)32(7,8)30-16-14(11-28)29-20(17(16)31-33(9,10)22(4,5)6)27-13-26-15-18(23)24-12-25-19(15)27/h12-17,19-20,28H,11H2,1-10H3,(H2,23,24,25)/t14-,15?,16-,17-,19?,20-/m1/s1
InChIKeyUZDGEAOQJTWSMQ-VDPBPCHWSA-N
XLogP2.92
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.79
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol (CID 10720127) is [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2C(N)=NC=NC21.
What is the InChIKey of [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol?
The InChIKey is UZDGEAOQJTWSMQ-VDPBPCHWSA-N. The full InChI is InChI=1S/C22H43N5O4Si2/c1-21(2,3)32(7,8)30-16-14(11-28)29-20(17(16)31-33(9,10)22(4,5)6)27-13-26-15-18(23)24-12-25-19(15)27/h12-17,19-20,28H,11H2,1-10H3,(H2,23,24,25)/t14-,15?,16-,17-,19?,20-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol?
[(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol has a molecular weight of 497.79 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol is sourced from PubChem (CID 10720127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).