(1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol

C32H46N2O10 — CID 138577008

About (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol

(1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol (PubChem CID 138577008) has the molecular formula C32H46N2O10 and a molecular weight of 618.72 g/mol. Its IUPAC name is (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol
• PubChem CID: 138577008
• Molecular Formula: C32H46N2O10
• Molecular Weight: 618.72 g/mol
• Exact Mass: 618.32
• IUPAC Name: (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol
• SMILES: O[C@@H]([C@@H]1OC(c2ccccc2)OC[C@H]1O)[C@@H](O)CN(CC1CCNCC1)C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O
• InChI: InChI=1S/C32H46N2O10/c35-23(27(39)29-25(37)18-41-31(43-29)21-7-3-1-4-8-21)16-34(15-20-11-13-33-14-12-20)17-24(36)28(40)30-26(38)19-42-32(44-30)22-9-5-2-6-10-22/h1-10,20,23-33,35-40H,11-19H2/t23-,24-,25+,26+,27+,28+,29+,30+,31?,32?/m0/s1
• InChIKey: QMXUJYGIIPYSBS-XYTBEPTLSA-N
• XLogP: -0.32
• TPSA: 173.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	618.72
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol?

The IUPAC name of (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol (CID 138577008) is (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol.

What is the SMILES notation for (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol?

The canonical SMILES for (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol is O[C@@H]([C@@H]1OC(c2ccccc2)OC[C@H]1O)[C@@H](O)CN(CC1CCNCC1)C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O.

What is the InChIKey of (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol?

The InChIKey is QMXUJYGIIPYSBS-XYTBEPTLSA-N. The full InChI is InChI=1S/C32H46N2O10/c35-23(27(39)29-25(37)18-41-31(43-29)21-7-3-1-4-8-21)16-34(15-20-11-13-33-14-12-20)17-24(36)28(40)30-26(38)19-42-32(44-30)22-9-5-2-6-10-22/h1-10,20,23-33,35-40H,11-19H2/t23-,24-,25+,26+,27+,28+,29+,30+,31?,32?/m0/s1.

What are the key properties of (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol?

(1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol has a molecular weight of 618.72 g/mol, XLogP of -0.32, 12 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S)-3-[[(2S,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propyl]-(piperidin-4-ylmethyl)amino]-1-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol is sourced from PubChem (CID 138577008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).