(5-Acetoxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl)methyl benzoate

HCID 229578

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3080-30-6
표준 SMILES: CC(=O)OC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1
InChIKey: GCZABPLTDYVJMP-UHFFFAOYSA-N
분자식: C28H24O9
평균 분자량: 504.5 g/mol
단동위원소 질량: 504.14203234

이름 및 식별자

우선 이름: (5-Acetoxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl)methyl benzoate
IUPAC: (5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl)methyl benzoate
영어명: 1-Acetyl-2,3,5-tri-O-benzoyl-β-L-ribofuranose
분자식: C28H24O9
분자량: 504.49

이름 및 동의어

(5-ACETYLOXY-3,4-DIBENZOYLOXY-OXOLAN-2-YL)METHYL BENZOATEC28H24O9NSC-23349NSC23349b-L-Ribofuranose 1-acetate 2,3,5-tribenzoateClofarabine Impurity 191-O-Acetyl-2,3,5-tri-O-benzoyl-b-L-ribofuranoseSCHEMBL10117984DTXSID60953008(2R,3S,4S,5S)-2-acetoxy-5-(benzoyloxymethyl)tetrahydrofuran-3,4-diyl dibenzoate[(2R,3R,4R)-5-acetoxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate(2R,3R,4R)-5-(ACETYLOXY)-4-(BENZOYLOXY)-2-[(BENZOYLOXY)METHYL]OXOLAN-3-YL BENZOATE

이름 더 보기

1-acetyl-23,5-tri-O-benzoyl-Beta-L-riboseβ-L-Ribofuranose 1-Acetate 2,3,5-Tribenzoateb-L-Ribofuranose, 1-acetate2,3,5-tribenzoateβ-L-Ribofuranose, 1-acetate 2,3,5-tribenzoate1-Acetyl-2,3,5-tri-O-benzoyl-β-L-ribofuranose1-ACETYL-2,3,5-TRI-O-BENZOYL-B-L-RIBOFURANOSE1-ACETYL-2,3,5-TRI-O-BENZOYL-SS-L-RIBOFURANOSEbeta-L-Ribofuranose 1-Acetate 2,3,5-Tribenzoate1-O-Acetyl-2,3,5-tribenzoyl-Beta-L-ribofuranose

(5-acetoxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl)methyl benzoateBBA28772NSC87674NSC-87674NSC164682AKOS001726284AKOS022016279NSC-164682

데이터베이스 식별자

CAS: 3080-30-6、6974-32-9、70832-64-3
PubChem CID: 229578
DTXSID: DTXSID60953008

물성

구조 계산 물성

XLogP: 5.6
극성 표면적: 114 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 12
무거운 원자 수: 37
형식 전하: 0
복잡도: 793

물리화학적 성질

녹는점: 128 to · 128.0 to 132.0 °C
끓는 점: 621 · 621.0±55.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChIKey: GCZABPLTDYVJMP-BHUNBKLGNA-N
SMILES: O([C@H]1[C@@H](O[C@H](OC(=O)C)[C@H]1OC(C1C=CC=CC=1)=O)COC(C1C=CC=CC=1)=O)C(C1C=CC=CC=1)=O |&1:1,2,4,9,r|