(2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol

C11H23NO6 — CID 90195897

IUPAC(2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol
SMILESC=CCCCONC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H23NO6/c1-2-3-4-5-18-12-6-8(14)10(16)11(17)9(15)7-13/h2,8-17H,1,3-7H2/t8-,9+,10+,11+/m0/s1
InChIKeyQRASWEJCDXYAEB-LNFKQOIKSA-N
MW265.31 g/mol
LogP-2.09
Rot. Bonds11

About (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol (PubChem CID 90195897) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol
PubChem CID90195897
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC Name(2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol
SMILESC=CCCCONC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H23NO6/c1-2-3-4-5-18-12-6-8(14)10(16)11(17)9(15)7-13/h2,8-17H,1,3-7H2/t8-,9+,10+,11+/m0/s1
InChIKeyQRASWEJCDXYAEB-LNFKQOIKSA-N
XLogP-2.09
TPSA122.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.31
LogP ≤ 5-2.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S)-6-(3-ethenoxypropylamino)hexane-1,2,3,4,5-pentol
CID 87279547
but-3-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 139898583
(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
CID 134906193
(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol
CID 87557711
(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,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol
CID 46872492
3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
CID 57018640
(3R,4R)-non-8-ene-1,3,4-triol
CID 10866828
(3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide
CID 124707819
3,4,5,6-tetrahydroxy-1-prop-2-enoxyhexan-2-one
CID 13054444

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol (CID 90195897) is (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol is C=CCCCONC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol?
The InChIKey is QRASWEJCDXYAEB-LNFKQOIKSA-N. The full InChI is InChI=1S/C11H23NO6/c1-2-3-4-5-18-12-6-8(14)10(16)11(17)9(15)7-13/h2,8-17H,1,3-7H2/t8-,9+,10+,11+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol has a molecular weight of 265.31 g/mol, XLogP of -2.09, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-(pent-4-enoxyamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 90195897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).