ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate

C11H20O6 — CID 102207629

IUPACethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1C
InChIInChI=1S/C11H20O6/c1-5-15-10(14)8(13)7(12)9-6(2)16-11(3,4)17-9/h6-9,12-13H,5H2,1-4H3/t6-,7-,8-,9+/m0/s1
InChIKeyZYPRDSRNDWXRNS-XSPKLOCKSA-N
MW248.27 g/mol
LogP-0.19
Rot. Bonds4

About ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate

ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate (PubChem CID 102207629) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
PubChem CID102207629
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Nameethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1C
InChIInChI=1S/C11H20O6/c1-5-15-10(14)8(13)7(12)9-6(2)16-11(3,4)17-9/h6-9,12-13H,5H2,1-4H3/t6-,7-,8-,9+/m0/s1
InChIKeyZYPRDSRNDWXRNS-XSPKLOCKSA-N
XLogP-0.19
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate with MolForge

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Related Compounds

Glucuronolactone
CID 92283
Lactobionic Acid
CID 7314
D-Galactono-1,4-Lactone
CID 97165
L-Gulonic acid, gamma-lactone
CID 439373
D-glucaro-1,4-lactone
CID 122306
2,3:4,6-di-O-Isopropylidene-2-keto-L-gulonic acid
CID 65420
Ethyl beta-D-glucuronide
CID 18392195
L-galactono-1,4-lactone
CID 6857365
(-)-Diacetone-2-keto-L-gulonic acid monohydrate
CID 72085
Kaltostat
CID 6850754
GlyTouCan:G63727IH
CID 1149778
Gulonolactone
CID 165105

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate?
The IUPAC name of ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate (CID 102207629) is ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate.
What is the SMILES notation for ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate?
The canonical SMILES for ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate is CCOC(=O)[C@@H](O)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1C.
What is the InChIKey of ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate?
The InChIKey is ZYPRDSRNDWXRNS-XSPKLOCKSA-N. The full InChI is InChI=1S/C11H20O6/c1-5-15-10(14)8(13)7(12)9-6(2)16-11(3,4)17-9/h6-9,12-13H,5H2,1-4H3/t6-,7-,8-,9+/m0/s1.
What are the key properties of ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate?
ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate has a molecular weight of 248.27 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate is sourced from PubChem (CID 102207629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).