(3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol

C10H20O8 — CID 89403321

IUPAC(3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol
SMILESC[C@H](O)[C@@H](OC1CO1)O[C@H](CO)[C@H](O)C(O)CO
InChIInChI=1S/C10H20O8/c1-5(13)10(18-8-4-16-8)17-7(3-12)9(15)6(14)2-11/h5-15H,2-4H2,1H3/t5-,6?,7+,8?,9+,10+/m0/s1
InChIKeyPHWDJKGWOHYIAA-FAHDRRCQSA-N
MW268.26 g/mol
LogP-2.84
Rot. Bonds9

About (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol

(3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol (PubChem CID 89403321) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol
PubChem CID89403321
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name(3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol
SMILESC[C@H](O)[C@@H](OC1CO1)O[C@H](CO)[C@H](O)C(O)CO
InChIInChI=1S/C10H20O8/c1-5(13)10(18-8-4-16-8)17-7(3-12)9(15)6(14)2-11/h5-15H,2-4H2,1H3/t5-,6?,7+,8?,9+,10+/m0/s1
InChIKeyPHWDJKGWOHYIAA-FAHDRRCQSA-N
XLogP-2.84
TPSA132.14 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-2.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol
CID 88926803
(5S,6S)-6-(hydroxymethyl)-5-[(1S,2S)-2-hydroxy-1-[(3R)-1,3,4-trihydroxybutan-2-yl]oxypropoxy]oxane-2,3,4-triol
CID 90347071
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
CID 154641569
(2S,3S,5S)-5-[(1R,2S)-1-[(3S)-1,3-dihydroxybutan-2-yl]oxy-2,3-dihydroxypropoxy]-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 129095439
(3R,4R)-pentane-1,2,3,4-tetrol
CID 89370817
hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane
CID 174373260
(2R,3R,4R,5R)-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]heptane-1,2,3,4,5-pentol
CID 71096886
(3R,4S,5R)-2-[(4S,5S,6R)-4,5-dihydroxy-6-[(2R,3R,4S)-1,3,4-trihydroxy-6,6-dimethylheptan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 58201978
(2S,3S)-2-propan-2-yloxypentane-1,3-diol
CID 58078764
(2S,3R,4R)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,5-tetrol
CID 91862445
2-[3-(hydroxymethyl)oxiran-2-yl]oxybutane-1,3-diol
CID 176977365

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol?
The IUPAC name of (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol (CID 89403321) is (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol.
What is the SMILES notation for (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol?
The canonical SMILES for (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol is C[C@H](O)[C@@H](OC1CO1)O[C@H](CO)[C@H](O)C(O)CO.
What is the InChIKey of (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol?
The InChIKey is PHWDJKGWOHYIAA-FAHDRRCQSA-N. The full InChI is InChI=1S/C10H20O8/c1-5(13)10(18-8-4-16-8)17-7(3-12)9(15)6(14)2-11/h5-15H,2-4H2,1H3/t5-,6?,7+,8?,9+,10+/m0/s1.
What are the key properties of (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol?
(3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol has a molecular weight of 268.26 g/mol, XLogP of -2.84, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol is sourced from PubChem (CID 89403321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).