포스락토마이신F
Phoslactomycin F
기본 정보
- CAS
122856-30-8- 표준 SMILES
CCC(C)CCC(=O)OC1CCCC(/C=C/C=C/C(O)CC(OP(=O)(O)O)C(O)(/C=C/C2OC(=O)C=CC2CC)CCN)C1- InChIKey
WPDKXNAUNHUXQR-HUCMBCENSA-N- 분자식
- C32H52NO10P
- 평균 분자량
- 641.7 g/mol
- 단동위원소 질량
- 641.33288385
개요
Phoslactomycin F has been reported in Streptomyces platensis with data available.
이름 및 식별자
- 우선 이름
- Phoslactomycin F
- IUPAC
- [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 4-methylhexanoate
- 현지명
- 포스락토마이신F
- 영어명
- Phoslactomycin F
- 분자식
- C32H52NO10P
- 분자량
- 641.73
이름 및 동의어
Phoslactomycin F122856-30-8[3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 4-methylhexanoate(3-((1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl)cyclohexyl) 4-methylhexanoateRefChem:173494Hexanoic acid, 4-methyl-, 3-(8-(2-aminoethyl)-10-(3-ethyl-3,6-dihydro-6-oxo-2H-pyran-2-yl)-5,8-dihydroxy-7-(phosphonooxy)-1,3,9-decatrienyl)cyclohexyl ester포스락토마이신F4-Methylhexanoic acid 3-[8-(2-aminoethyl)-10-[(3-ethyl-3,6-dihydro-6-oxo-2H-pyran)-2-yl]-5,8-dihydroxy-7-(phosphonooxy)deca-1,3,9-trien-1-yl]cyclohexyl esterHexanoic acid, 4-methyl-, (1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-3,6-dihydro-6-oxo-2H-pyran-2-yl]-5,8-dihydroxy-7-(phosphonooxy)-1,3,9-decatrien-1-yl]cyclohexyl ester, (4S)-
데이터베이스 식별자
- CAS
122856-30-8- PubChem CID
- 6439132
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,070
물리화학적 성질
- 끓는 점
- 811.7 · 811.7±75.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.8 · 1.80±0.10(Predicted)
관련 반응
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