HCID249377

2-Deoxypentitol

pentane-1,2,3,5-tetrol

C5H12O4136.15 g/molCAS 13942-76-2

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IDENTITY

结构与身份

标准SMILES: OCCC(O)C(O)CO
InChIKey: ZDAWZDFBPUUDAY-UHFFFAOYSA-N
分子式: C5H12O4
平均分子量: 136.15 g/mol
单同位素质量: 136.07355886

COMPUTED

结构计算性质

已同步

XLogP: -2
极性表面积: 80.9 Å²
氢键供体: 4
氢键受体: 4
可旋转键: 4
重原子: 9
形式电荷: 0
复杂度: 66

PHARMACOLOGY

药理信息

来源：PubChem

Cellular Locations

Cytoplasm；Extracellular

ALIASES

名称与别名

共 15 条

2-deoxypentitolDTXSID30930467RefChem:935463DTXCID5013591942-deoxy-xyluloseNSC67660SCHEMBL346604SCHEMBL6432653SCHEMBL6432863SCHEMBL6432993SCHEMBL6433785SCHEMBL6435099SCHEMBL7800121CHEBI:166493NSC-67660

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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