(2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol

C7H17NO4 — CID 122574555

IUPAC(2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@@H](O)[C@](O)(CN)[C@@H](C)O
InChIInChI=1S/C7H17NO4/c1-4(9)6(11)7(12,3-8)5(2)10/h4-6,9-12H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKeyCXASPKDUFRBTRC-WNJXEPBRSA-N
MW179.22 g/mol
LogP-2.20
Rot. Bonds4

About (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol

(2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol (PubChem CID 122574555) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol
PubChem CID122574555
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Name(2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@@H](O)[C@](O)(CN)[C@@H](C)O
InChIInChI=1S/C7H17NO4/c1-4(9)6(11)7(12,3-8)5(2)10/h4-6,9-12H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKeyCXASPKDUFRBTRC-WNJXEPBRSA-N
XLogP-2.20
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol?
The IUPAC name of (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol (CID 122574555) is (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol is C[C@H](O)[C@@H](O)[C@](O)(CN)[C@@H](C)O.
What is the InChIKey of (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol?
The InChIKey is CXASPKDUFRBTRC-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H17NO4/c1-4(9)6(11)7(12,3-8)5(2)10/h4-6,9-12H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol?
(2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol has a molecular weight of 179.22 g/mol, XLogP of -2.20, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol is sourced from PubChem (CID 122574555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).