(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal

C10H20O6 — CID 118394063

IUPAC(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal
SMILESCC(C)(C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)C=O
InChIInChI=1S/C10H20O6/c1-10(2,3)16-9(7(14)5-12)8(15)6(13)4-11/h5-9,11,13-15H,4H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyJTFWZCXVGGYGJZ-BZNPZCIMSA-N
MW236.26 g/mol
LogP-1.56
Rot. Bonds6

About (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal

(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal (PubChem CID 118394063) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal
PubChem CID118394063
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal
SMILESCC(C)(C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)C=O
InChIInChI=1S/C10H20O6/c1-10(2,3)16-9(7(14)5-12)8(15)6(13)4-11/h5-9,11,13-15H,4H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyJTFWZCXVGGYGJZ-BZNPZCIMSA-N
XLogP-1.56
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-propan-2-yloxyhexanal
CID 135149067
(2,4,5,6-tetrahydroxy-1-oxohexan-3-yl) methanesulfonate
CID 146158842
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808
(2R,3R,4R)-2,3,4,5-tetrahydroxy(2,3,4,5-13C4)pentanal
CID 87229143
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2R,3S,4R)-2,4,5-trihydroxy-3-methoxypentanal
CID 21126151
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal?
The IUPAC name of (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal (CID 118394063) is (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal.
What is the SMILES notation for (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal?
The canonical SMILES for (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal is CC(C)(C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)C=O.
What is the InChIKey of (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal?
The InChIKey is JTFWZCXVGGYGJZ-BZNPZCIMSA-N. The full InChI is InChI=1S/C10H20O6/c1-10(2,3)16-9(7(14)5-12)8(15)6(13)4-11/h5-9,11,13-15H,4H2,1-3H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal?
(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal has a molecular weight of 236.26 g/mol, XLogP of -1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal is sourced from PubChem (CID 118394063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).