[2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone

C24H28O13 — CID 11569968

About [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone

[2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone (PubChem CID 11569968) has the molecular formula C24H28O13 and a molecular weight of 524.48 g/mol. Its IUPAC name is [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone.

Molecular Properties

• Compound Name: [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone
• PubChem CID: 11569968
• Molecular Formula: C24H28O13
• Molecular Weight: 524.48 g/mol
• Exact Mass: 524.15
• IUPAC Name: [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone
• SMILES: O=C(c1ccccc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O
• InChI: InChI=1S/C24H28O13/c25-8-15-18(30)19(31)20(37-23-21(32)24(33,9-26)10-34-23)22(36-15)35-14-7-12(27)6-13(28)16(14)17(29)11-4-2-1-3-5-11/h1-7,15,18-23,25-28,30-33H,8-10H2/t15-,18-,19+,20-,21+,22-,23+,24-/m1/s1
• InChIKey: GNZXMFPBYJMTPZ-OZYQASBSSA-N
• XLogP: -2.03
• TPSA: 215.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	524.48
LogP ≤ 5	-2.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone?

The IUPAC name of [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone (CID 11569968) is [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone.

What is the SMILES notation for [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone?

The canonical SMILES for [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone is O=C(c1ccccc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O.

What is the InChIKey of [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone?

The InChIKey is GNZXMFPBYJMTPZ-OZYQASBSSA-N. The full InChI is InChI=1S/C24H28O13/c25-8-15-18(30)19(31)20(37-23-21(32)24(33,9-26)10-34-23)22(36-15)35-14-7-12(27)6-13(28)16(14)17(29)11-4-2-1-3-5-11/h1-7,15,18-23,25-28,30-33H,8-10H2/t15-,18-,19+,20-,21+,22-,23+,24-/m1/s1.

What are the key properties of [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone?

[2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone has a molecular weight of 524.48 g/mol, XLogP of -2.03, 8 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 11569968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).