(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene

C14H20O6 — CID 157337689

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene
SMILESC=Cc1ccccc1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H8.C6H12O6/c1-2-8-6-4-3-5-7-8;7-1-3(9)5(11)6(12)4(10)2-8/h2-7H,1H2;1,3-6,8-12H,2H2/t;3-,4+,5+,6+/m.0/s1
InChIKeyBGAKHKPHXAAUQD-SSPAHAAFSA-N
MW284.31 g/mol
LogP-1.05
Rot. Bonds6

About (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene (PubChem CID 157337689) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene
PubChem CID157337689
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene
SMILESC=Cc1ccccc1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H8.C6H12O6/c1-2-8-6-4-3-5-7-8;7-1-3(9)5(11)6(12)4(10)2-8/h2-7H,1H2;1,3-6,8-12H,2H2/t;3-,4+,5+,6+/m.0/s1
InChIKeyBGAKHKPHXAAUQD-SSPAHAAFSA-N
XLogP-1.05
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 88742811
benzene;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 161438638
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
benzoyl benzenecarboperoxoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 160746741
2,3,4,5,6-pentahydroxyhexanal;prop-1-ene
CID 174814472
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
alumane;2,3,4,5,6-pentahydroxyhexanal
CID 174945571

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene (CID 157337689) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene is C=Cc1ccccc1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene?
The InChIKey is BGAKHKPHXAAUQD-SSPAHAAFSA-N. The full InChI is InChI=1S/C8H8.C6H12O6/c1-2-8-6-4-3-5-7-8;7-1-3(9)5(11)6(12)4(10)2-8/h2-7H,1H2;1,3-6,8-12H,2H2/t;3-,4+,5+,6+/m.0/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene has a molecular weight of 284.31 g/mol, XLogP of -1.05, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene is sourced from PubChem (CID 157337689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).