2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-((2R)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl ester, (alphaS)-
기본 정보
- CAS
180472-20-2- 표준 SMILES
COc1ccc2cc([C@H](C)C(=O)OCC[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1- InChIKey
KYECYAFVFZRXIM-ADXZGYQBSA-N- 분자식
- C29H34O5
- 평균 분자량
- 462.6 g/mol
- 단동위원소 질량
- 462.24062418
이름 및 식별자
- 우선 이름
- 2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-((2R)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl ester, (alphaS)-
- IUPAC
- 2-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
- 영어명
- 2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, 2-[(2R)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl]ethyl ester, (αS)-
- 분자식
- C29H34O5
- 분자량
- 462.59
이름 및 동의어
AL-8417180472-20-2UNII-8C30ZCN2NA8C30ZCN2NAJ1.090.276B(2R)-AL-5898(S)-alpha-Methyl-6-methoxynaphthalene-2-acetic acid 2-(3,4-dihydro-2,5,7,8-tetramethyl-6-hydroxy-2H-1-benzopyran-2beta-yl)ethyl ester2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-((2R)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl ester, (alphaS)-2-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoateorb1703768CHEMBL3349564AKOS040745540
이름 더 보기
AL8417AL 84172-Naphthaleneacetic acid, 6-methoxy-α-methyl-, 2-[(2R)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl]ethyl ester, (αS)-
2-((R)-6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)ethyl (S)-2-(6-methoxynaphthalen-2-yl)propanoateDA-50302HY-117368CS-0065546T23697Q27270162(S)-.ALPHA.-METHYL-6-METHOXYNAPHTHALENE-2-ACETIC ACID 2-(3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-6-HYDROXY-2H-1-BENZOPYRAN-2.BETA.-YL)ETHYL ESTER2-NAPHTHALENEACETIC ACID, 6-METHOXY-.ALPHA.-METHYL-, 2-((2R)-3,4-DIHYDRO-6-HYDROXY-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN-2-YL)ETHYL ESTER, (.ALPHA.S)-
데이터베이스 식별자
- CAS
180472-20-2- PubChem CID
- 9934059
- ChEMBL
CHEMBL3349564- UNII
- 8C30ZCN2NA
- Nikkaji
- J1.090.276B
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 65 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 696
물리화학적 성질
- 끓는 점
- 615.2 · 615.2±55.0 °C(Predicted)
- 밀도
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.37 · 11.37±0.40(Predicted)
관련 반응
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