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

C10H20O6 — CID 166765239

IUPAC(1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@@H]([C@H](O)CO)[C@@](CO)(CCO)O1
InChIInChI=1S/C10H20O6/c1-9(2)15-8(7(14)5-12)10(6-13,16-9)3-4-11/h7-8,11-14H,3-6H2,1-2H3/t7-,8+,10+/m1/s1
InChIKeyIRNQFBDNIDMNRD-WEDXCCLWSA-N
MW236.26 g/mol
LogP-1.40
Rot. Bonds5

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

(1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 166765239) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
PubChem CID166765239
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@@H]([C@H](O)CO)[C@@](CO)(CCO)O1
InChIInChI=1S/C10H20O6/c1-9(2)15-8(7(14)5-12)10(6-13,16-9)3-4-11/h7-8,11-14H,3-6H2,1-2H3/t7-,8+,10+/m1/s1
InChIKeyIRNQFBDNIDMNRD-WEDXCCLWSA-N
XLogP-1.40
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-2-azido-1-[5,5-bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 118652031
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 142063838
(1R)-1-[(3aS,6R,6aS)-4-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
CID 10922935
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 175677124
(1S)-1-[(3aR,5R,6R,6aR)-6-hydroxy-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 156705341
(3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 102205061
(1R)-1-[(5R,6S,6aR)-6-butyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 54001420
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
1-[(3aR,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 163503532
2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol
CID 57052916

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (CID 166765239) is (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is CC1(C)O[C@@H]([C@H](O)CO)[C@@](CO)(CCO)O1.
What is the InChIKey of (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The InChIKey is IRNQFBDNIDMNRD-WEDXCCLWSA-N. The full InChI is InChI=1S/C10H20O6/c1-9(2)15-8(7(14)5-12)10(6-13,16-9)3-4-11/h7-8,11-14H,3-6H2,1-2H3/t7-,8+,10+/m1/s1.
What are the key properties of (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
(1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 236.26 g/mol, XLogP of -1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 166765239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).