δ-Valerolactone - 10mM in DMSO , CAS No.542-28-9

CAS: 542-28-9 Cat. No.: V424630 분자식: C₅H₈O₂ 분자량: 100.12 Beilstein Registry Number: 106436 EC 번호: 208-807-1 PubChem CID: 10953

GRADE & PURITY 10mM in DMSO

Synonyms

NSC 65442 | NSC65442 | NSC-65442 | C02240 | InChI=1/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H | .delta.-Valerolactone | CHEBI:16545 | Tetrahydro-2-pyranone | EC 208-807-1 | SY018264 | Pentanoic acid, 5-hydroxy-, .delta.-lactone | WLN: T6OVTJ | DTXCID4024438 | AKOS009

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

NSC 65442 | NSC65442 | NSC-65442 | C02240 | InChI=1/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H | .delta.-Valerolactone | CHEBI:16545 | Tetrahydro-2-pyranone | EC 208-807-1 | SY018264 | Pentanoic acid, 5-hydroxy-, .delta.-lactone | WLN: T6OVTJ | DTXCID4024438 | AKOS009

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528768902

정식 스마일

C1CCOC(=O)C1

IUPAC Name

oxan-2-one

InChIKey

OZJPLYNZGCXSJM-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2

이성체 SMILES

C1CCOC(=O)C1

WGK 독일

3

PubChem CID

10953

분자량

100.12

Beilstein

106436

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Lactones
• Subclass: Delta valerolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Delta valerolactones
• Alternative Parents: Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta_valerolactone - Delta valerolactone - Oxane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 Activities)

Discover Target: PON1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture Sensitive,Heat Sensitive
• 굴절률: 1.456-1.459
• 발화점(°F): 233.6 °F
• 발화점(°C): 112℃
• 끓는점(°C): 230-60°C
• 녹는점(°C): -13°C
• 분자량: 100.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 78.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1