(2R,3S)-Dimethyl oxirane-2,3-dicarboxylate - CAS 718617-86-8
Catalog: |
BB034486 |
Product Name: |
(2R,3S)-Dimethyl oxirane-2,3-dicarboxylate |
CAS: |
718617-86-8 |
Synonyms: |
dimethyl (2S,3R)-oxirane-2,3-dicarboxylate |
IUPAC Name: | dimethyl (2R,3S)-oxirane-2,3-dicarboxylate |
Description: | (2R,3S)-Dimethyl oxirane-2,3-dicarboxylate (CAS# 718617-86-8 ) is a useful research chemical. |
Molecular Weight: | 160.12 |
Molecular Formula: | C6H8O5 |
Canonical SMILES: | COC(=O)C1C(O1)C(=O)OC |
InChI: | InChI=1S/C6H8O5/c1-9-5(7)3-4(11-3)6(8)10-2/h3-4H,1-2H3/t3-,4+ |
InChI Key: | KAGHUYFLGPUYKE-ZXZARUISSA-N |
LogP: | -0.90020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2004181052-A1 | Process for the production of pentostatin aglycone and pentostatin | 20021212 |
US-7393954-B2 | Process for the production of pentostatin aglycone and pentostatin | 20021212 |
WO-9312138-A1 | Compounds and compositions for treating hiv infections | 19911212 |
JP-S5767517-A | Carcinostatic agent | 19801013 |
PMID | Publication Date | Title | Journal |
16216498 | 20051215 | Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor | Bioorganic & medicinal chemistry letters |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.03717335 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.03717335 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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