(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid

• 常用名: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid
• 英文名: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid
• CAS号: 97387-24-1
• 分子量: 460.43200
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₆H₂₀O₈
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid

物理化学性质

• 分子式: C₂₆H₂₀O₈
• 分子量: 460.43200
• 精确质量: 460.11600
• PSA: 136.68000
• LogP: 2.71380
• InChIKey: XZAGDEZGFQNXIS-SNYRDRRFSA-N
• SMILES: O=C(O)C1OC(Oc2c3ccccc3c3ccc4ccc(O)c5ccc2c3c45)C(O)C(O)C1O

英文别名

• Benzo(a)pyrene-3,6-quinol glucuronide
• BP-3,6-Quinol-GL
• Benzo(a)pyrene-3,6-quinol monoglucuronide