[(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate

C14H18N4O6S — CID 24780399

IUPAC[(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1n1c(=O)sc2cnc(N)nc21
InChIInChI=1S/C14H18N4O6S/c1-6(2)22-14(21)24-8-3-7(5-19)23-11(8)18-10-9(25-13(18)20)4-16-12(15)17-10/h4,6-8,11,19H,3,5H2,1-2H3,(H2,15,16,17)/t7-,8+,11+/m0/s1
InChIKeyOFCSDXGMKRXTMA-VAOFZXAKSA-N
MW370.39 g/mol
LogP0.65
Rot. Bonds4

About [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate

[(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate (PubChem CID 24780399) has the molecular formula C14H18N4O6S and a molecular weight of 370.39 g/mol. Its IUPAC name is [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate
PubChem CID24780399
Molecular FormulaC14H18N4O6S
Molecular Weight370.39 g/mol
Exact Mass370.09
IUPAC Name[(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1n1c(=O)sc2cnc(N)nc21
InChIInChI=1S/C14H18N4O6S/c1-6(2)22-14(21)24-8-3-7(5-19)23-11(8)18-10-9(25-13(18)20)4-16-12(15)17-10/h4,6-8,11,19H,3,5H2,1-2H3,(H2,15,16,17)/t7-,8+,11+/m0/s1
InChIKeyOFCSDXGMKRXTMA-VAOFZXAKSA-N
XLogP0.65
TPSA138.79 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate?
The IUPAC name of [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate (CID 24780399) is [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate.
What is the SMILES notation for [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate?
The canonical SMILES for [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate is CC(C)OC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1n1c(=O)sc2cnc(N)nc21.
What is the InChIKey of [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate?
The InChIKey is OFCSDXGMKRXTMA-VAOFZXAKSA-N. The full InChI is InChI=1S/C14H18N4O6S/c1-6(2)22-14(21)24-8-3-7(5-19)23-11(8)18-10-9(25-13(18)20)4-16-12(15)17-10/h4,6-8,11,19H,3,5H2,1-2H3,(H2,15,16,17)/t7-,8+,11+/m0/s1.
What are the key properties of [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate?
[(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate has a molecular weight of 370.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate is sourced from PubChem (CID 24780399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).