furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal

C9H14O6 — CID 146448376

IUPACfuran;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESO=C[C@@H](O)[C@H](O)[C@H](O)CO.c1ccoc1
InChIInChI=1S/C5H10O5.C4H4O/c6-1-3(8)5(10)4(9)2-7;1-2-4-5-3-1/h1,3-5,7-10H,2H2;1-4H/t3-,4-,5+;/m1./s1
InChIKeyNXNXMQPQIBGGKP-ZDQHTEEMSA-N
MW218.21 g/mol
LogP-1.46
Rot. Bonds4

About furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal

furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal (PubChem CID 146448376) has the molecular formula C9H14O6 and a molecular weight of 218.21 g/mol. Its IUPAC name is furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Namefuran;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
PubChem CID146448376
Molecular FormulaC9H14O6
Molecular Weight218.21 g/mol
Exact Mass218.08
IUPAC Namefuran;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESO=C[C@@H](O)[C@H](O)[C@H](O)CO.c1ccoc1
InChIInChI=1S/C5H10O5.C4H4O/c6-1-3(8)5(10)4(9)2-7;1-2-4-5-3-1/h1,3-5,7-10H,2H2;1-4H/t3-,4-,5+;/m1./s1
InChIKeyNXNXMQPQIBGGKP-ZDQHTEEMSA-N
XLogP-1.46
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.46
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)-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
(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
benzene;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 161438638
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
(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
(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

Frequently Asked Questions

What is the IUPAC name of furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal (CID 146448376) is furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal is O=C[C@@H](O)[C@H](O)[C@H](O)CO.c1ccoc1.
What is the InChIKey of furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The InChIKey is NXNXMQPQIBGGKP-ZDQHTEEMSA-N. The full InChI is InChI=1S/C5H10O5.C4H4O/c6-1-3(8)5(10)4(9)2-7;1-2-4-5-3-1/h1,3-5,7-10H,2H2;1-4H/t3-,4-,5+;/m1./s1.
What are the key properties of furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 218.21 g/mol, XLogP of -1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 146448376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).