(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

C10H18O7 — CID 10922935

IUPAC(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
SMILESCC1(C)O[C@H]2[C@@H]([C@H](O)CO)OC(O)[C@@]2(CO)O1
InChIInChI=1S/C10H18O7/c1-9(2)16-7-6(5(13)3-11)15-8(14)10(7,4-12)17-9/h5-8,11-14H,3-4H2,1-2H3/t5-,6-,7+,8?,10+/m1/s1
InChIKeyBMXKAGCYGYGDBT-YOPLALNNSA-N
MW250.25 g/mol
LogP-2.06
Rot. Bonds3

About (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

(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 (PubChem CID 10922935) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10922935
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name(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
SMILESCC1(C)O[C@H]2[C@@H]([C@H](O)CO)OC(O)[C@@]2(CO)O1
InChIInChI=1S/C10H18O7/c1-9(2)16-7-6(5(13)3-11)15-8(14)10(7,4-12)17-9/h5-8,11-14H,3-4H2,1-2H3/t5-,6-,7+,8?,10+/m1/s1
InChIKeyBMXKAGCYGYGDBT-YOPLALNNSA-N
XLogP-2.06
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
CID 11652206
(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
[(3aS,6R,6aS)-4-benzoyloxy-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl benzoate
CID 71818761
(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-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 142063838
(1R)-1-[(3aR,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 6541035
1-[(3aR,5R,6R)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 51340641
(3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
CID 24861883
(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
CID 129364122
(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol
CID 130917800
(3aR,4R,7S,7aR)-4-[(1S)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 18647948

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@H]2[C@@H]([C@H](O)CO)OC(O)[C@@]2(CO)O1.
What is the InChIKey of (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?
The InChIKey is BMXKAGCYGYGDBT-YOPLALNNSA-N. The full InChI is InChI=1S/C10H18O7/c1-9(2)16-7-6(5(13)3-11)15-8(14)10(7,4-12)17-9/h5-8,11-14H,3-4H2,1-2H3/t5-,6-,7+,8?,10+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 250.25 g/mol, XLogP of -2.06, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10922935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).