(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal

C10H20O10 — CID 172768726

IUPAC(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESO=C[C@H](O)[C@H](O)[C@H](O)CO.OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/2C5H10O5/c6-1-2-3(7)4(8)5(9)10-2;6-1-3(8)5(10)4(9)2-7/h2-9H,1H2;1,3-5,7-10H,2H2/t2-,3-,4-,5+;3-,4+,5-/m10/s1
InChIKeyMQXLQCKGLZJVQF-GAUCNLNESA-N
MW300.26 g/mol
LogP-5.32
Rot. Bonds5

About (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal

(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal (PubChem CID 172768726) has the molecular formula C10H20O10 and a molecular weight of 300.26 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
PubChem CID172768726
Molecular FormulaC10H20O10
Molecular Weight300.26 g/mol
Exact Mass300.11
IUPAC Name(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESO=C[C@H](O)[C@H](O)[C@H](O)CO.OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/2C5H10O5/c6-1-2-3(7)4(8)5(9)10-2;6-1-3(8)5(10)4(9)2-7/h2-9H,1H2;1,3-5,7-10H,2H2/t2-,3-,4-,5+;3-,4+,5-/m10/s1
InChIKeyMQXLQCKGLZJVQF-GAUCNLNESA-N
XLogP-5.32
TPSA188.14 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.26
LogP ≤ 5-5.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87122434
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87293664
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87871934
cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 88608048
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(3R,4S,5R)-oxane-2,3,4,5-tetrol;(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;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 173114490
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CID 173368353
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(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
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal (CID 172768726) is (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal is O=C[C@H](O)[C@H](O)[C@H](O)CO.OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The InChIKey is MQXLQCKGLZJVQF-GAUCNLNESA-N. The full InChI is InChI=1S/2C5H10O5/c6-1-2-3(7)4(8)5(9)10-2;6-1-3(8)5(10)4(9)2-7/h2-9H,1H2;1,3-5,7-10H,2H2/t2-,3-,4-,5+;3-,4+,5-/m10/s1.
What are the key properties of (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?
(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 300.26 g/mol, XLogP of -5.32, 5 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 172768726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).