(1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol

C16H25NO6S — CID 10937265

IUPAC(1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol
SMILESCC1(C)O[C@H]([C@H](O)C[C@@H](O)c2nccs2)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C16H25NO6S/c1-15(2)20-8-11(21-15)13-12(22-16(3,4)23-13)9(18)7-10(19)14-17-5-6-24-14/h5-6,9-13,18-19H,7-8H2,1-4H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyWBACENALRUEOJE-SYLRKERUSA-N
MW359.44 g/mol
LogP1.60
Rot. Bonds5

About (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol

(1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol (PubChem CID 10937265) has the molecular formula C16H25NO6S and a molecular weight of 359.44 g/mol. Its IUPAC name is (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name(1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol
PubChem CID10937265
Molecular FormulaC16H25NO6S
Molecular Weight359.44 g/mol
Exact Mass359.14
IUPAC Name(1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol
SMILESCC1(C)O[C@H]([C@H](O)C[C@@H](O)c2nccs2)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C16H25NO6S/c1-15(2)20-8-11(21-15)13-12(22-16(3,4)23-13)9(18)7-10(19)14-17-5-6-24-14/h5-6,9-13,18-19H,7-8H2,1-4H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyWBACENALRUEOJE-SYLRKERUSA-N
XLogP1.60
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol?
The IUPAC name of (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol (CID 10937265) is (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol.
What is the SMILES notation for (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol?
The canonical SMILES for (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol is CC1(C)O[C@H]([C@H](O)C[C@@H](O)c2nccs2)[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol?
The InChIKey is WBACENALRUEOJE-SYLRKERUSA-N. The full InChI is InChI=1S/C16H25NO6S/c1-15(2)20-8-11(21-15)13-12(22-16(3,4)23-13)9(18)7-10(19)14-17-5-6-24-14/h5-6,9-13,18-19H,7-8H2,1-4H3/t9-,10-,11-,12-,13-/m1/s1.
What are the key properties of (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol?
(1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol has a molecular weight of 359.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol is sourced from PubChem (CID 10937265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).