(2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol

C7H15NO5 — CID 175753792

IUPAC(2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol
SMILES[2H]/C(=N\C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h2,4-7,9-13H,3H2,1H3/b8-2+/t4-,5+,6+,7+/m0/s1/i2D
InChIKeyRKMBAGSNCOGHAE-VKTRVLMPSA-N
MW194.21 g/mol
LogP-2.88
Rot. Bonds5

About (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol (PubChem CID 175753792) has the molecular formula C7H15NO5 and a molecular weight of 194.21 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol
PubChem CID175753792
Molecular FormulaC7H15NO5
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name(2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol
SMILES[2H]/C(=N\C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h2,4-7,9-13H,3H2,1H3/b8-2+/t4-,5+,6+,7+/m0/s1/i2D
InChIKeyRKMBAGSNCOGHAE-VKTRVLMPSA-N
XLogP-2.88
TPSA113.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R,5R)-1-deuterio-2,3,4,5,6-pentahydroxy(113C)hexan-1-one
CID 165412918
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(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,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
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanetellural
CID 141136344
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexan(18O)al
CID 165412528

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol (CID 175753792) is (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol is [2H]/C(=N\C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol?
The InChIKey is RKMBAGSNCOGHAE-VKTRVLMPSA-N. The full InChI is InChI=1S/C7H15NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h2,4-7,9-13H,3H2,1H3/b8-2+/t4-,5+,6+,7+/m0/s1/i2D.
What are the key properties of (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol has a molecular weight of 194.21 g/mol, XLogP of -2.88, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 175753792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).