(3R,4R)-pentane-1,2,3,4-tetrol

C5H12O4 — CID 89370817

IUPAC(3R,4R)-pentane-1,2,3,4-tetrol
SMILESC[C@@H](O)[C@@H](O)C(O)CO
InChIInChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3/t3-,4?,5-/m1/s1
InChIKeyFJGNTEKSQVNVTJ-MCZAYYIJSA-N
MW136.15 g/mol
LogP-1.92
Rot. Bonds3

About (3R,4R)-pentane-1,2,3,4-tetrol

(3R,4R)-pentane-1,2,3,4-tetrol (PubChem CID 89370817) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is (3R,4R)-pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(3R,4R)-pentane-1,2,3,4-tetrol
PubChem CID89370817
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Name(3R,4R)-pentane-1,2,3,4-tetrol
SMILESC[C@@H](O)[C@@H](O)C(O)CO
InChIInChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3/t3-,4?,5-/m1/s1
InChIKeyFJGNTEKSQVNVTJ-MCZAYYIJSA-N
XLogP-1.92
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-pentane-1,2,3,4-tetrol;phosphoric acid
CID 159509366
pentane-1,2,3,4-tetrol;phosphoric acid
CID 174620761
(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
CID 158918319
(2R,3R)-butane-1,2,3-triol
CID 6398419
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
4-methylhexane-1,2,3,5,6-pentol
CID 157441175
(2S,3R,4S,6S,7S,8R,9R)-1,2,3,4,6,7,8,9-octahydroxydecan-5-one
CID 56619103
(2R,3R,4S,5R,8R,9S,10R,11R)-1,2,3,4,5,8,9,10,11-nonahydroxydodecane-6,7-dione
CID 21336140

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-pentane-1,2,3,4-tetrol?
The IUPAC name of (3R,4R)-pentane-1,2,3,4-tetrol (CID 89370817) is (3R,4R)-pentane-1,2,3,4-tetrol.
What is the SMILES notation for (3R,4R)-pentane-1,2,3,4-tetrol?
The canonical SMILES for (3R,4R)-pentane-1,2,3,4-tetrol is C[C@@H](O)[C@@H](O)C(O)CO.
What is the InChIKey of (3R,4R)-pentane-1,2,3,4-tetrol?
The InChIKey is FJGNTEKSQVNVTJ-MCZAYYIJSA-N. The full InChI is InChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3/t3-,4?,5-/m1/s1.
What are the key properties of (3R,4R)-pentane-1,2,3,4-tetrol?
(3R,4R)-pentane-1,2,3,4-tetrol has a molecular weight of 136.15 g/mol, XLogP of -1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-pentane-1,2,3,4-tetrol is sourced from PubChem (CID 89370817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).