1,3,5-Triacetoxy-hexahydro-1,3,5-triazine-2,4,6-trione

HCID 11301124CAS 558480-54-9

基本信息

标准SMILES: CC(=O)On1c(=O)n(OC(C)=O)c(=O)n(OC(C)=O)c1=O
InChIKey: ROEDYTPFOWLBBH-UHFFFAOYSA-N
分子式: C9H9N3O9
平均分子量: 303.18 g/mol
单同位素质量: 303.03387887

名称与标识

首选名称: 1,3,5-Triacetoxy-hexahydro-1,3,5-triazine-2,4,6-trione
IUPAC: (3,5-diacetyloxy-2,4,6-trioxo-1,3,5-triazinan-1-yl) acetate

名称与别名

1,3,5-triacetoxy-hexahydro-1,3,5-triazine-2,4,6-trione558480-54-9SCHEMBL2238645DTXSID30461746ROEDYTPFOWLBBH-UHFFFAOYSA-N2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl triacetate

数据库标识

CAS: 558480-54-9
PubChem CID: 11301124
DTXSID: DTXSID30461746

性质

结构计算性质

XLogP: -0.4
极性表面积: 140 Å²
氢键供体: 0
氢键受体: 9
可旋转键: 6
重原子: 21
形式电荷: 0
复杂度: 443

关联笔记

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