(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine

C11H26N2O6 — CID 22847472

IUPAC(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine
SMILESNCCCCCN.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.C5H14N2/c7-1-2-3(8)4(9)5(10)6(11)12-2;6-4-2-1-3-5-7/h2-11H,1H2;1-7H2/t2-,3-,4+,5+,6?;/m1./s1
InChIKeyDDXOIZDJRMBRSN-XXIBIAAKSA-N
MW282.34 g/mol
LogP-3.15
Rot. Bonds5

About (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine

(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine (PubChem CID 22847472) has the molecular formula C11H26N2O6 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine.

Molecular Properties

Compound Name(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine
PubChem CID22847472
Molecular FormulaC11H26N2O6
Molecular Weight282.34 g/mol
Exact Mass282.18
IUPAC Name(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine
SMILESNCCCCCN.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.C5H14N2/c7-1-2-3(8)4(9)5(10)6(11)12-2;6-4-2-1-3-5-7/h2-11H,1H2;1-7H2/t2-,3-,4+,5+,6?;/m1./s1
InChIKeyDDXOIZDJRMBRSN-XXIBIAAKSA-N
XLogP-3.15
TPSA162.42 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.34
LogP ≤ 5-3.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine?
The IUPAC name of (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine (CID 22847472) is (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine.
What is the SMILES notation for (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine?
The canonical SMILES for (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine is NCCCCCN.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine?
The InChIKey is DDXOIZDJRMBRSN-XXIBIAAKSA-N. The full InChI is InChI=1S/C6H12O6.C5H14N2/c7-1-2-3(8)4(9)5(10)6(11)12-2;6-4-2-1-3-5-7/h2-11H,1H2;1-7H2/t2-,3-,4+,5+,6?;/m1./s1.
What are the key properties of (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine?
(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine has a molecular weight of 282.34 g/mol, XLogP of -3.15, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentane-1,5-diamine is sourced from PubChem (CID 22847472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).