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

C10H20O6 — CID 22887029

IUPAC(1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol
SMILESCCCC1OC[C@@H](O)[C@@H]([C@@H](O)[C@@H](O)CO)O1
InChIInChI=1S/C10H20O6/c1-2-3-8-15-5-7(13)10(16-8)9(14)6(12)4-11/h6-14H,2-5H2,1H3/t6-,7+,8?,9-,10-/m0/s1
InChIKeyKANZWGZDRZYSLK-FWLDNGTLSA-N
MW236.26 g/mol
LogP-1.40
Rot. Bonds5

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

(1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol (PubChem CID 22887029) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol
PubChem CID22887029
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol
SMILESCCCC1OC[C@@H](O)[C@@H]([C@@H](O)[C@@H](O)CO)O1
InChIInChI=1S/C10H20O6/c1-2-3-8-15-5-7(13)10(16-8)9(14)6(12)4-11/h6-14H,2-5H2,1H3/t6-,7+,8?,9-,10-/m0/s1
InChIKeyKANZWGZDRZYSLK-FWLDNGTLSA-N
XLogP-1.40
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol?
The IUPAC name of (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol (CID 22887029) is (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol.
What is the SMILES notation for (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol?
The canonical SMILES for (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol is CCCC1OC[C@@H](O)[C@@H]([C@@H](O)[C@@H](O)CO)O1.
What is the InChIKey of (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol?
The InChIKey is KANZWGZDRZYSLK-FWLDNGTLSA-N. The full InChI is InChI=1S/C10H20O6/c1-2-3-8-15-5-7(13)10(16-8)9(14)6(12)4-11/h6-14H,2-5H2,1H3/t6-,7+,8?,9-,10-/m0/s1.
What are the key properties of (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol?
(1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol has a molecular weight of 236.26 g/mol, XLogP of -1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol is sourced from PubChem (CID 22887029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).