(2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal

C6H13NO5 — CID 2794221

IUPAC(2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal
SMILESN[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6-/m0/s1
InChIKeyFZHXIRIBWMQPQF-KCDKBNATSA-N
MW179.17 g/mol
LogP-3.41
Rot. Bonds5

About (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal

(2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal (PubChem CID 2794221) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal
PubChem CID2794221
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal
SMILESN[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6-/m0/s1
InChIKeyFZHXIRIBWMQPQF-KCDKBNATSA-N
XLogP-3.41
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-3.41
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

Glucosamine Hydrochloride
CID 91431
Glucosamine Sulfate
CID 73415774
D-Glucosaminic acid
CID 73563
Galactosamine hydrochloride
CID 74493
2-ammonio-2-deoxy-D-gluconate
CID 40418670
2-Amino-3,4,5,6-tetrahydroxyhexanal hydrochloride
CID 5351447
2-Amino-2-deoxyhexose
CID 318324
D-Glucose, 6-amino-6-deoxy-, hydrochloride
CID 198338
N-Methylglucosamine
CID 151093
D-Mannose, 2-amino-2-deoxy-, hydrochloride (1:1)
CID 9899264
Aldehydo-D-glucosamine 6-phosphate
CID 121988
Sulfuric acid--2-amino-2-deoxyhexose (1/1)
CID 115046

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal?
The IUPAC name of (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal (CID 2794221) is (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal.
What is the SMILES notation for (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal?
The canonical SMILES for (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal is N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal?
The InChIKey is FZHXIRIBWMQPQF-KCDKBNATSA-N. The full InChI is InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6-/m0/s1.
What are the key properties of (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal?
(2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal has a molecular weight of 179.17 g/mol, XLogP of -3.41, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal is sourced from PubChem (CID 2794221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).