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

C10H20O5 — CID 142063838

IUPAC(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESC[C@H](CO)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO
InChIInChI=1S/C10H20O5/c1-6(4-11)8-9(7(13)5-12)15-10(2,3)14-8/h6-9,11-13H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyVABUFDIVGCJKBX-FNCVBFRFSA-N
MW220.26 g/mol
LogP-0.51
Rot. Bonds4

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

(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 142063838) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
PubChem CID142063838
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESC[C@H](CO)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO
InChIInChI=1S/C10H20O5/c1-6(4-11)8-9(7(13)5-12)15-10(2,3)14-8/h6-9,11-13H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyVABUFDIVGCJKBX-FNCVBFRFSA-N
XLogP-0.51
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (CID 142063838) is (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is C[C@H](CO)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO.
What is the InChIKey of (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The InChIKey is VABUFDIVGCJKBX-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H20O5/c1-6(4-11)8-9(7(13)5-12)15-10(2,3)14-8/h6-9,11-13H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 220.26 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 142063838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).