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N-hexanoyl-D-erythro-sphinganine - ≥99% , CAS No.171039-13-7

N-hexanoyl-D-erythro-sphinganine - ≥99% , CAS No.171039-13-7

Name: N-hexanoyl-D-erythro-sphinganine - ≥99% , CAS No.171039-13-7
SKU: N130692
Availability: InStock

CAS: 171039-13-7 Cat. No.: N130692 분자식: C₂₄H₄₉NO₃ 분자량: 399.651

COA

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N-hexanoyl-D-erythro-sphinganine - ≥99% CAS No(171039-13-7) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥99%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어

사양 및 순도

≥99%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥99%

이름과 식별자

Pubchem Sid

504768388

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768388

정식 스마일

CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCC)O

IUPAC Name

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexanamide

InChIKey

VUMHYWBWYSPQMM-XZOQPEGZSA-N

INCHI

1S/C24H49NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)/t22-,23+/m0/s1

이성체 SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCC)O

분자량

399.651

Reaxy-Rn

13935999

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13935999&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - 분류 Sphingolipids
    - Subclass Ceramides

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
분류	Sphingolipids
Subclass	Ceramides
Intermediate Tree Nodes	Not available
Direct Parent	Ceramides
Alternative Parents	N-acyl amines Secondary carboxylic acid amides Secondary alcohols Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ceramide - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
설명	This compound belongs to the class of organic compounds known as ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid.
External Descriptors	dihydroceramide
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

3D 구조

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Lot Number	Certificate Type	날짜	항목
C2331995	Certificate of Analysis	Oct 09, 2024	N130692
C2331996	Certificate of Analysis	Oct 09, 2024	N130692

분자량	399.700 g/mol
XLogP3	8.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	21
Exact Mass	399.371 Da
Monoisotopic Mass	399.371 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	336.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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