(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

C22H40ClN5O4Si2 — CID 14806024

IUPAC(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
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40ClN5O4Si2/c1-21(2,3)33(7,8)30-11-13-16(32-34(9,10)22(4,5)6)15(29)19(31-13)28-12-25-14-17(23)26-20(24)27-18(14)28/h12-13,15-16,19,29H,11H2,1-10H3,(H2,24,26,27)/t13-,15-,16-,19-/m1/s1
InChIKeyQHSPPYHIWOMCQS-NVQRDWNXSA-N
MW530.22 g/mol
LogP4.73
Rot. Bonds6

About (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

(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 (PubChem CID 14806024) has the molecular formula C22H40ClN5O4Si2 and a molecular weight of 530.22 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID14806024
Molecular FormulaC22H40ClN5O4Si2
Molecular Weight530.22 g/mol
Exact Mass529.23
IUPAC Name(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
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40ClN5O4Si2/c1-21(2,3)33(7,8)30-11-13-16(32-34(9,10)22(4,5)6)15(29)19(31-13)28-12-25-14-17(23)26-20(24)27-18(14)28/h12-13,15-16,19,29H,11H2,1-10H3,(H2,24,26,27)/t13-,15-,16-,19-/m1/s1
InChIKeyQHSPPYHIWOMCQS-NVQRDWNXSA-N
XLogP4.73
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.22
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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

Launch Full Analysis

Related Compounds

(2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one
CID 15172865
9-[(1S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-6-chloropurin-2-amine
CID 10691994
9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine
CID 11025765
(2R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 67642663
(4R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 90346189
9-[(3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-(2-phenylsulfanylethyl)purin-2-amine
CID 90343207
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2-chloro-6-methoxypurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 139257488
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
CID 10788628
(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol
CID 167580905
2-amino-9-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-[(2-sulfanylidene-1,3,2λ5-dithiaphospholan-2-yl)oxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 152712704
[2-(2-amino-6-chloropurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
CID 4269989
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 146018019

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (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?
The InChIKey is QHSPPYHIWOMCQS-NVQRDWNXSA-N. The full InChI is InChI=1S/C22H40ClN5O4Si2/c1-21(2,3)33(7,8)30-11-13-16(32-34(9,10)22(4,5)6)15(29)19(31-13)28-12-25-14-17(23)26-20(24)27-18(14)28/h12-13,15-16,19,29H,11H2,1-10H3,(H2,24,26,27)/t13-,15-,16-,19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 530.22 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 14806024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).