기본 정보
- 표준 SMILES
OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O- InChIKey
MRWXACSTFXYYMV-FDDDBJFASA-N- 분자식
- C10H12N4O4
- 평균 분자량
- 252.23 g/mol
- 단동위원소 질량
- 252.08585486
개요
Nebularine is a purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. It has a role as a fungal metabolite. It is a purines D-ribonucleoside and a purine ribonucleoside. It is functionally related to a beta-D-ribose.
이름 및 식별자
- 우선 이름
- Nebularine
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
이름 및 동의어
Nebularine550-33-4Purine ribosideN-D-RibosylpurinePurine ribonucleoside9-beta-D-Ribofuranosyl-9H-purine9-(beta-D-ribofuranosyl)-9H-purineB8B604PS4P9-(beta-D-Ribofuranosyl)purineDTXSID701015580NSC-65423purine-1-D-ribofuranoside
이름 더 보기
CHEBI:18255(2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diolRefChem:389245CHEBI:26399DTXCID701473831208-981-9Purine nucleoside(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(9H-purin-9-yl)tetrahydrofuran-3,4-diol
데이터베이스 식별자
- CAS
550-33-4- PubChem CID
- 68368
- DTXSID
DTXSID701015580- ChEMBL
CHEMBL1399702- ChEBI
CHEBI:18255- UNII
- B8B604PS4P
- EC Number
- 208-981-9
- Nikkaji
- J1.609H
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 308
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information9H-Purine, 9-.beta.-D-ribofuranosyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Substances that inhibit the growth or reproduction of BACTERIA.
관련 반응
2건
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