(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol

C7H18N2O4 — CID 46884294

IUPAC(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol
SMILESN[C@@H](CO)[C@@H](O)C[C@H](O)[C@@H](N)CO
InChIInChI=1S/C7H18N2O4/c8-4(2-10)6(12)1-7(13)5(9)3-11/h4-7,10-13H,1-3,8-9H2/t4-,5-,6-,7-/m0/s1
InChIKeyCVXNAVDRMVPUOS-AXMZGBSTSA-N
MW194.23 g/mol
LogP-3.26
Rot. Bonds6

About (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol

(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol (PubChem CID 46884294) has the molecular formula C7H18N2O4 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol.

Molecular Properties

Compound Name(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol
PubChem CID46884294
Molecular FormulaC7H18N2O4
Molecular Weight194.23 g/mol
Exact Mass194.13
IUPAC Name(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol
SMILESN[C@@H](CO)[C@@H](O)C[C@H](O)[C@@H](N)CO
InChIInChI=1S/C7H18N2O4/c8-4(2-10)6(12)1-7(13)5(9)3-11/h4-7,10-13H,1-3,8-9H2/t4-,5-,6-,7-/m0/s1
InChIKeyCVXNAVDRMVPUOS-AXMZGBSTSA-N
XLogP-3.26
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.23
LogP ≤ 5-3.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol
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(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol
CID 126485687
(1R)-1-aminoethane-1,2-diol
CID 140649256
(2R,3S,4R)-2-aminohexane-1,3,4-triol
CID 89364894
3-amino-5-methylhexane-1,2-diol
CID 85255378
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
(2S,3S)-2-amino-17-methyloctadecane-1,3-diol
CID 24740674
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol
CID 87770507
[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
CID 89155758

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol?
The IUPAC name of (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol (CID 46884294) is (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol.
What is the SMILES notation for (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol?
The canonical SMILES for (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol is N[C@@H](CO)[C@@H](O)C[C@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol?
The InChIKey is CVXNAVDRMVPUOS-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H18N2O4/c8-4(2-10)6(12)1-7(13)5(9)3-11/h4-7,10-13H,1-3,8-9H2/t4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol?
(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol has a molecular weight of 194.23 g/mol, XLogP of -3.26, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol is sourced from PubChem (CID 46884294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).