(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol

C48H39ClN4O4 — CID 11803319

IUPAC(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol
SMILESO[C@H]1[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](n2cnc3c(Cl)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H39ClN4O4/c49-44-41-45(51-32-50-44)53(33-52-41)46-43(57-48(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)42(54)40(56-46)31-55-47(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-30,32-33,40,42-43,46,54H,31H2/t40-,42-,43-,46-/m1/s1
InChIKeyINPFZOVUUNARMQ-QQJAHVSNSA-N
MW771.32 g/mol
LogP9.12
Rot. Bonds12

About (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol

(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol (PubChem CID 11803319) has the molecular formula C48H39ClN4O4 and a molecular weight of 771.32 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol
PubChem CID11803319
Molecular FormulaC48H39ClN4O4
Molecular Weight771.32 g/mol
Exact Mass770.27
IUPAC Name(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol
SMILESO[C@H]1[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](n2cnc3c(Cl)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H39ClN4O4/c49-44-41-45(51-32-50-44)53(33-52-41)46-43(57-48(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)42(54)40(56-46)31-55-47(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-30,32-33,40,42-43,46,54H,31H2/t40-,42-,43-,46-/m1/s1
InChIKeyINPFZOVUUNARMQ-QQJAHVSNSA-N
XLogP9.12
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.32
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol with MolForge

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Related Compounds

N-[9-[(2R,3S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 99650396
9-[(2R,3R,4R,5R)-3-fluoro-4-trityloxy-5-(trityloxymethyl)oxolan-2-yl]-N,N-dimethylpurin-6-amine
CID 67641094
1-benzyl-9-[(2R,3R,4R,5R)-4-hydroxy-3-trityloxy-5-(trityloxymethyl)oxolan-2-yl]-6H-purin-6-ol
CID 22861885
2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 155898713
(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluoro-5-(6-methylpurin-9-yl)oxolan-3-ol
CID 134322341
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(3-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 23543114
2-[2-[(2R,3R,4R,5R)-5-[6-(tritylamino)purin-9-yl]-4-trityloxy-2-(trityloxymethyl)oxolan-3-yl]oxyethoxy]ethanol
CID 23257034
9-[(1S,2R,4R,5S)-4-(trityloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10278142
2-[9-[(2S,3S,4R,5S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxopurin-1-yl]ethyl benzoate
CID 156579673
1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one
CID 73236705
9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-propylpurin-6-one
CID 73236688
[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-3-yl] N-phenylcarbamate
CID 66842606

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol (CID 11803319) is (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol is O[C@H]1[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](n2cnc3c(Cl)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol?
The InChIKey is INPFZOVUUNARMQ-QQJAHVSNSA-N. The full InChI is InChI=1S/C48H39ClN4O4/c49-44-41-45(51-32-50-44)53(33-52-41)46-43(57-48(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)42(54)40(56-46)31-55-47(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-30,32-33,40,42-43,46,54H,31H2/t40-,42-,43-,46-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol?
(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol has a molecular weight of 771.32 g/mol, XLogP of 9.12, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol is sourced from PubChem (CID 11803319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).