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

C22H43N5O4Si2 — CID 163795890

IUPAC(2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3C(N)=NC=NC32)C(O[Si](C)(C)C(C)(C)C)C1O
InChIInChI=1S/C22H43N5O4Si2/c1-21(2,3)32(7,8)29-11-14-16(28)17(31-33(9,10)22(4,5)6)20(30-14)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
InChIKeyNATFNUQHDBOKOU-ALYAYVEYSA-N
MW497.79 g/mol
LogP2.92
Rot. Bonds6

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

(2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol (PubChem CID 163795890) has the molecular formula C22H43N5O4Si2 and a molecular weight of 497.79 g/mol. Its IUPAC name is (2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
PubChem CID163795890
Molecular FormulaC22H43N5O4Si2
Molecular Weight497.79 g/mol
Exact Mass497.29
IUPAC Name(2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3C(N)=NC=NC32)C(O[Si](C)(C)C(C)(C)C)C1O
InChIInChI=1S/C22H43N5O4Si2/c1-21(2,3)32(7,8)29-11-14-16(28)17(31-33(9,10)22(4,5)6)20(30-14)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
InChIKeyNATFNUQHDBOKOU-ALYAYVEYSA-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'}

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Related Compounds

[(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
(2R,3R,4S,5R)-2-(6-amino-4,5-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11254204
(2R,4S,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-2-ethyl-4-nonoxyoxolan-3-ol
CID 166015426
ethyl 2-[(2R,3S,5R)-2-(6-amino-4,5-dihydropurin-9-yl)-4,5-diethyloxolan-3-yl]oxyacetate
CID 166015435
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
(2R,3R,4S,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14806024
9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine
CID 10806793
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
2-[3-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-ethyl-2,6-dioxopyrimidin-1-yl]acetic acid
CID 15958329
2-amino-9-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 174003568
(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
CID 67142927
1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine
CID 165081348

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol?
The IUPAC name of (2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol (CID 163795890) is (2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol.
What is the SMILES notation for (2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol?
The canonical SMILES for (2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3C(N)=NC=NC32)C(O[Si](C)(C)C(C)(C)C)C1O.
What is the InChIKey of (2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol?
The InChIKey is NATFNUQHDBOKOU-ALYAYVEYSA-N. The full InChI is InChI=1S/C22H43N5O4Si2/c1-21(2,3)32(7,8)29-11-14-16(28)17(31-33(9,10)22(4,5)6)20(30-14)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,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol?
(2R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol 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,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol is sourced from PubChem (CID 163795890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).