(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol

C10H20O5 — CID 22887028

IUPAC(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol
SMILESCCCC1OC[C@@H](O)[C@@H]([C@H](O)[C@H](C)O)O1
InChIInChI=1S/C10H20O5/c1-3-4-8-14-5-7(12)10(15-8)9(13)6(2)11/h6-13H,3-5H2,1-2H3/t6-,7+,8?,9+,10-/m0/s1
InChIKeyHPOKAIKILJHQFI-AWRHWBBKSA-N
MW220.26 g/mol
LogP-0.37
Rot. Bonds4

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

(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol (PubChem CID 22887028) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol
PubChem CID22887028
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol
SMILESCCCC1OC[C@@H](O)[C@@H]([C@H](O)[C@H](C)O)O1
InChIInChI=1S/C10H20O5/c1-3-4-8-14-5-7(12)10(15-8)9(13)6(2)11/h6-13H,3-5H2,1-2H3/t6-,7+,8?,9+,10-/m0/s1
InChIKeyHPOKAIKILJHQFI-AWRHWBBKSA-N
XLogP-0.37
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol?
The IUPAC name of (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol (CID 22887028) is (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol.
What is the SMILES notation for (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol?
The canonical SMILES for (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol is CCCC1OC[C@@H](O)[C@@H]([C@H](O)[C@H](C)O)O1.
What is the InChIKey of (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol?
The InChIKey is HPOKAIKILJHQFI-AWRHWBBKSA-N. The full InChI is InChI=1S/C10H20O5/c1-3-4-8-14-5-7(12)10(15-8)9(13)6(2)11/h6-13H,3-5H2,1-2H3/t6-,7+,8?,9+,10-/m0/s1.
What are the key properties of (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol?
(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol has a molecular weight of 220.26 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol is sourced from PubChem (CID 22887028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).