2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione

C7H10O9 — CID 154724110

IUPAC2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione
SMILESO=C1OC(O)([C@@H](O)C(O)[C@@H](O)CO)OC1=O
InChIInChI=1S/C7H10O9/c8-1-2(9)3(10)4(11)7(14)15-5(12)6(13)16-7/h2-4,8-11,14H,1H2/t2-,3?,4-/m0/s1
InChIKeyTVIBZFBPJJCULR-QNVNXEQISA-N
MW238.15 g/mol
LogP-4.19
Rot. Bonds4

About 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione

2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione (PubChem CID 154724110) has the molecular formula C7H10O9 and a molecular weight of 238.15 g/mol. Its IUPAC name is 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione.

Molecular Properties

Compound Name2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione
PubChem CID154724110
Molecular FormulaC7H10O9
Molecular Weight238.15 g/mol
Exact Mass238.03
IUPAC Name2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione
SMILESO=C1OC(O)([C@@H](O)C(O)[C@@H](O)CO)OC1=O
InChIInChI=1S/C7H10O9/c8-1-2(9)3(10)4(11)7(14)15-5(12)6(13)16-7/h2-4,8-11,14H,1H2/t2-,3?,4-/m0/s1
InChIKeyTVIBZFBPJJCULR-QNVNXEQISA-N
XLogP-4.19
TPSA153.75 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 5-4.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione with MolForge

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Related Compounds

[(5R)-4,5-dihydroxy-2-oxo-5-[(1R,2R,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolan-4-yl] hydrogen sulfite
CID 171781121
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(3S)-3,6-dihydroxy-3-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]cyclohexane-1,2,4-trione
CID 91220418
2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione
CID 156716160
furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 146448376
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
CID 158428296
CID 158428296

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione?
The IUPAC name of 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione (CID 154724110) is 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione.
What is the SMILES notation for 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione?
The canonical SMILES for 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione is O=C1OC(O)([C@@H](O)C(O)[C@@H](O)CO)OC1=O.
What is the InChIKey of 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione?
The InChIKey is TVIBZFBPJJCULR-QNVNXEQISA-N. The full InChI is InChI=1S/C7H10O9/c8-1-2(9)3(10)4(11)7(14)15-5(12)6(13)16-7/h2-4,8-11,14H,1H2/t2-,3?,4-/m0/s1.
What are the key properties of 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione?
2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione has a molecular weight of 238.15 g/mol, XLogP of -4.19, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione is sourced from PubChem (CID 154724110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).