5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C33H58N4O9SSi3 — CID 66707741

IUPAC5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCC[Si](CC)(CC)OC[C@H]1O[C@@H](n2c(=O)sc3c(OCc4oc(=O)oc4C)nc(N)nc32)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C33H58N4O9SSi3/c1-11-48(12-2,13-3)41-21-24-25(45-49(14-4,15-5)16-6)26(46-50(17-7,18-8)19-9)30(43-24)37-28-27(47-32(37)38)29(36-31(34)35-28)40-20-23-22(10)42-33(39)44-23/h24-26,30H,11-21H2,1-10H3,(H2,34,35,36)/t24-,25-,26-,30-/m1/s1
InChIKeyAVRWXZBLMBCLCO-VIDGLSEISA-N
MW771.17 g/mol
LogP7.57
Rot. Bonds20

About 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 66707741) has the molecular formula C33H58N4O9SSi3 and a molecular weight of 771.17 g/mol. Its IUPAC name is 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID66707741
Molecular FormulaC33H58N4O9SSi3
Molecular Weight771.17 g/mol
Exact Mass770.32
IUPAC Name5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCC[Si](CC)(CC)OC[C@H]1O[C@@H](n2c(=O)sc3c(OCc4oc(=O)oc4C)nc(N)nc32)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C33H58N4O9SSi3/c1-11-48(12-2,13-3)41-21-24-25(45-49(14-4,15-5)16-6)26(46-50(17-7,18-8)19-9)30(43-24)37-28-27(47-32(37)38)29(36-31(34)35-28)40-20-23-22(10)42-33(39)44-23/h24-26,30H,11-21H2,1-10H3,(H2,34,35,36)/t24-,25-,26-,30-/m1/s1
InChIKeyAVRWXZBLMBCLCO-VIDGLSEISA-N
XLogP7.57
TPSA163.30 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500771.17
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 66707741) is 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CC[Si](CC)(CC)OC[C@H]1O[C@@H](n2c(=O)sc3c(OCc4oc(=O)oc4C)nc(N)nc32)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is AVRWXZBLMBCLCO-VIDGLSEISA-N. The full InChI is InChI=1S/C33H58N4O9SSi3/c1-11-48(12-2,13-3)41-21-24-25(45-49(14-4,15-5)16-6)26(46-50(17-7,18-8)19-9)30(43-24)37-28-27(47-32(37)38)29(36-31(34)35-28)40-20-23-22(10)42-33(39)44-23/h24-26,30H,11-21H2,1-10H3,(H2,34,35,36)/t24-,25-,26-,30-/m1/s1.
What are the key properties of 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 771.17 g/mol, XLogP of 7.57, 20 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 66707741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).