(3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol

C16H26O11 — CID 87133032

IUPAC(3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol
SMILESOCC1([C@H]2OC[C@H](O)[C@H]2O[C@@H]2[C@@H](O)CO[C@@H]2C2(CO)OCCO2)OCCO1
InChIInChI=1S/C16H26O11/c17-7-15(23-1-2-24-15)13-11(9(19)5-21-13)27-12-10(20)6-22-14(12)16(8-18)25-3-4-26-16/h9-14,17-20H,1-8H2/t9-,10-,11+,12+,13-,14-/m0/s1
InChIKeyZPPDZUIXCZMPNV-GHEKHTLGSA-N
MW394.37 g/mol
LogP-3.27
Rot. Bonds6

About (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol

(3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol (PubChem CID 87133032) has the molecular formula C16H26O11 and a molecular weight of 394.37 g/mol. Its IUPAC name is (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol
PubChem CID87133032
Molecular FormulaC16H26O11
Molecular Weight394.37 g/mol
Exact Mass394.15
IUPAC Name(3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol
SMILESOCC1([C@H]2OC[C@H](O)[C@H]2O[C@@H]2[C@@H](O)CO[C@@H]2C2(CO)OCCO2)OCCO1
InChIInChI=1S/C16H26O11/c17-7-15(23-1-2-24-15)13-11(9(19)5-21-13)27-12-10(20)6-22-14(12)16(8-18)25-3-4-26-16/h9-14,17-20H,1-8H2/t9-,10-,11+,12+,13-,14-/m0/s1
InChIKeyZPPDZUIXCZMPNV-GHEKHTLGSA-N
XLogP-3.27
TPSA145.53 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.37
LogP ≤ 5-3.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol?
The IUPAC name of (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol (CID 87133032) is (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol.
What is the SMILES notation for (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol?
The canonical SMILES for (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol is OCC1([C@H]2OC[C@H](O)[C@H]2O[C@@H]2[C@@H](O)CO[C@@H]2C2(CO)OCCO2)OCCO1.
What is the InChIKey of (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol?
The InChIKey is ZPPDZUIXCZMPNV-GHEKHTLGSA-N. The full InChI is InChI=1S/C16H26O11/c17-7-15(23-1-2-24-15)13-11(9(19)5-21-13)27-12-10(20)6-22-14(12)16(8-18)25-3-4-26-16/h9-14,17-20H,1-8H2/t9-,10-,11+,12+,13-,14-/m0/s1.
What are the key properties of (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol?
(3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol has a molecular weight of 394.37 g/mol, XLogP of -3.27, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-4-[(2S,3R,4S)-4-hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-yl]oxy-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-3-ol is sourced from PubChem (CID 87133032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).