(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol

C5H13NO4 — CID 126485687

IUPAC(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol
SMILESN[C@H](CO)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C5H13NO4/c6-3(1-7)5(10)4(9)2-8/h3-5,7-10H,1-2,6H2/t3-,4+,5-/m1/s1
InChIKeyVMWHZZCFIPURJF-MROZADKFSA-N
MW151.16 g/mol
LogP-2.98
Rot. Bonds4

About (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol

(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol (PubChem CID 126485687) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol
PubChem CID126485687
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol
SMILESN[C@H](CO)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C5H13NO4/c6-3(1-7)5(10)4(9)2-8/h3-5,7-10H,1-2,6H2/t3-,4+,5-/m1/s1
InChIKeyVMWHZZCFIPURJF-MROZADKFSA-N
XLogP-2.98
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-2.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4R)-2-aminohexane-1,3,4-triol
CID 89364894
(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
(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
CID 139898597
(2S,3R,4R,5R)-1-aminohexane-1,2,3,4,5,6-hexol
CID 139898603
(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol
CID 87770507
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
CID 87266813
CID 87266813

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol?
The IUPAC name of (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol (CID 126485687) is (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol.
What is the SMILES notation for (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol?
The canonical SMILES for (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol is N[C@H](CO)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol?
The InChIKey is VMWHZZCFIPURJF-MROZADKFSA-N. The full InChI is InChI=1S/C5H13NO4/c6-3(1-7)5(10)4(9)2-8/h3-5,7-10H,1-2,6H2/t3-,4+,5-/m1/s1.
What are the key properties of (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol?
(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol has a molecular weight of 151.16 g/mol, XLogP of -2.98, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol is sourced from PubChem (CID 126485687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).