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(3S,4S,5R)-3-Acetyl-5-(acetyloxy)dihydro-3,4-dimethyl-2(3H)-furanone

HCID 100162
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
510-18-9
Standard SMILES
CC(=O)O[C@@H]1OC(=O)[C@](C)(C(C)=O)[C@@H]1C
InChIKey
OYMZTORLGBISLR-RHFNHBFPSA-N
Molecular formula
C10H14O5
Average molar mass
214.21 g/mol
Monoisotopic mass
214.08412354

Overview

Acetomycin is an acetal.

Names & identifiers

Preferred name
(3S,4S,5R)-3-Acetyl-5-(acetyloxy)dihydro-3,4-dimethyl-2(3H)-furanone
IUPAC
[(2R,3S,4S)-4-acetyl-3,4-dimethyl-5-oxooxolan-2-yl] acetate
English name
acetomycin
Molecular formula
C10H14O5
Molecular weight
214.22

Names & synonyms

Acetomycin510-18-9(-)-Acetomycin373B64IT09J479.514H3-acetyl-5-(acetyloxy)dihydro-3,4-dimethyl-2(3H)furanoneNSC-350598RefChem:906070(3S,4S,5R)-3-Acetyl-5-(acetyloxy)dihydro-3,4-dimethyl-2(3H)-furanone(4-acetyl-3,4-dimethyl-5-oxooxolan-2-yl) acetate[(2R,3S,4S)-4-acetyl-3,4-dimethyl-5-oxooxolan-2-yl] acetate2(3H)-Furanone, 3-acetyl-5-(acetyloxy)-dihydro-3,4-dimethyl-, (3S-(3alpha,4alpha,5alpha))-
Show more names
BAI1 inhibitorAcetomycin, Antibiotic agent3-Acetyl-5-(acetyloxy)-3,4-dimethyltetrahydrofuran-2-one3-Acetyl-5-acetoxy-4,5-dihydro-3,4-dimethyl-2(3H)-furanone2(3H)-Furanone, 3-acetyl-5-(acetyloxy)dihydro-3,4-dimethyl-, (3S,4S,5R)-
[(2R,3S,4S)-4-acetyl-3,4-dimethyl-5-oxo-tetrahydrofuran-2-yl] acetateNSC 350598BRN 01742792(3H)-Furanone, 3-acetyl-5-(acetyloxy)dihydro-3,4-dimethyl-CHEMBL162264orb1740308SCHEMBL29473001UNII-373B64IT09

Properties

Computed structural properties

XLogP
1
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
322

Physicochemical properties

Melting point
115 · 115-116℃ (methanol )
Boiling point
336.2 · 336.2±42.0 °C(Predicted)
Density
1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
DMSO: Soluble,Methanol: Soluble
form
White to off-white crystals.
color
White to off-white crystalline
EWG's Food Scores
1 · 1
FDA UNII
373 B64IT09 · 373B64IT09
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesAcetomycin is an anti-biotic, anti-fungal, anti-protozoal, and anti-bacterial agent.

Suppliers16 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
510-18-9
PubChem CID
100162
ChEMBL
CHEMBL162264
ChEBI
CHEBI:209246
UNII
373B64IT09
Nikkaji
J479.514H
TargetMol中国(陶术生物)
4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海研纯生物医药科技有限公司4001-009266 17349750668 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]