(3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one

C10H18O5 — CID 59885962

IUPAC(3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one
SMILESCC(=O)[C@@H](O)[C@H](O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O5/c1-6(11)9(13)8(12)4-7-5-14-10(2,3)15-7/h7-9,12-13H,4-5H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyDBVCVUFSCJTLIJ-DJLDLDEBSA-N
MW218.25 g/mol
LogP-0.16
Rot. Bonds4

About (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one

(3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one (PubChem CID 59885962) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one.

Molecular Properties

Compound Name(3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one
PubChem CID59885962
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one
SMILESCC(=O)[C@@H](O)[C@H](O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O5/c1-6(11)9(13)8(12)4-7-5-14-10(2,3)15-7/h7-9,12-13H,4-5H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyDBVCVUFSCJTLIJ-DJLDLDEBSA-N
XLogP-0.16
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one with MolForge

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Related Compounds

Inulobiose
CID 21155828
(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
CID 54523248
Altenin
CID 3084174
3-Pentanone, 1-hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-, (R*,S*)-
CID 17844179
(2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one
CID 102062050
ethyl (2R,5S)-5-hydroxy-5-[(1S)-1-hydroxyethyl]-4-oxooxolane-2-carboxylate
CID 162941933
(4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 10587536
5,6-O-Isopropylidene-L-gulono-1,4-lactone
CID 10867731
Methyl 3,4:5,6-di-O-isopropylidene-D-gluconate
CID 11098244
(4S,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11118793
Ribosyl-ribose
CID 11680751
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] octanoate
CID 53820915

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one?
The IUPAC name of (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one (CID 59885962) is (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one.
What is the SMILES notation for (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one?
The canonical SMILES for (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one is CC(=O)[C@@H](O)[C@H](O)C[C@H]1COC(C)(C)O1.
What is the InChIKey of (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one?
The InChIKey is DBVCVUFSCJTLIJ-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(11)9(13)8(12)4-7-5-14-10(2,3)15-7/h7-9,12-13H,4-5H2,1-3H3/t7-,8+,9+/m0/s1.
What are the key properties of (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one?
(3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one has a molecular weight of 218.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one is sourced from PubChem (CID 59885962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).