(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one

C9H12O6 — CID 68975358

IUPAC(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCC(C)=C(O)[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C9H12O6/c1-3(2)4(10)5(11)8-6(12)7(13)9(14)15-8/h5,8,10-13H,1-2H3/t5-,8+/m0/s1
InChIKeyYWRMMRQWMSKGBB-YLWLKBPMSA-N
MW216.19 g/mol
LogP0.45
Rot. Bonds2

About (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one

(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 68975358) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID68975358
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCC(C)=C(O)[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C9H12O6/c1-3(2)4(10)5(11)8-6(12)7(13)9(14)15-8/h5,8,10-13H,1-2H3/t5-,8+/m0/s1
InChIKeyYWRMMRQWMSKGBB-YLWLKBPMSA-N
XLogP0.45
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CID 54717306
CID 175868978
CID 175868978
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
CID 54684743
trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
CID 173003936
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;molecular chlorine
CID 141150592
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] propanoate
CID 71656699
(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
CID 174800617
1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 175816222
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;sulfuric acid
CID 66675533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one (CID 68975358) is (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one is CC(C)=C(O)[C@H](O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is YWRMMRQWMSKGBB-YLWLKBPMSA-N. The full InChI is InChI=1S/C9H12O6/c1-3(2)4(10)5(11)8-6(12)7(13)9(14)15-8/h5,8,10-13H,1-2H3/t5-,8+/m0/s1.
What are the key properties of (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one?
(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 216.19 g/mol, XLogP of 0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 68975358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).