dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate

C19H37NO7 — CID 87268278

IUPACdodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate
SMILESCCCCCCCCCCCCOC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C19H37NO7/c1-2-3-4-5-6-7-8-9-10-11-12-27-19(26)20-15(13-21)17(24)18(25)16(23)14-22/h13,15-18,22-25H,2-12,14H2,1H3,(H,20,26)/t15-,16+,17+,18+/m0/s1
InChIKeySQJUCPONRSVSEZ-BSDSXHPESA-N
MW391.51 g/mol
LogP1.28
Rot. Bonds17

About dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate

dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate (PubChem CID 87268278) has the molecular formula C19H37NO7 and a molecular weight of 391.51 g/mol. Its IUPAC name is dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Namedodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate
PubChem CID87268278
Molecular FormulaC19H37NO7
Molecular Weight391.51 g/mol
Exact Mass391.26
IUPAC Namedodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate
SMILESCCCCCCCCCCCCOC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C19H37NO7/c1-2-3-4-5-6-7-8-9-10-11-12-27-19(26)20-15(13-21)17(24)18(25)16(23)14-22/h13,15-18,22-25H,2-12,14H2,1H3,(H,20,26)/t15-,16+,17+,18+/m0/s1
InChIKeySQJUCPONRSVSEZ-BSDSXHPESA-N
XLogP1.28
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate with MolForge

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Related Compounds

hexadecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate
CID 87268083
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexadecanamide
CID 88698330
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexanamide
CID 20622219
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87277694
butyl N-[(2S)-1-hydroxy-3-oxopropan-2-yl]carbamate
CID 174370782
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;hydrate
CID 22868018
hexadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 172817489
hexyl N-formylcarbamate
CID 175274354
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal
CID 22874830
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
2-methyl-N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]propanamide
CID 87815796
11-methylpentadecyl N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate
CID 54344779

Frequently Asked Questions

What is the IUPAC name of dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate?
The IUPAC name of dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate (CID 87268278) is dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate.
What is the SMILES notation for dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate?
The canonical SMILES for dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate is CCCCCCCCCCCCOC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate?
The InChIKey is SQJUCPONRSVSEZ-BSDSXHPESA-N. The full InChI is InChI=1S/C19H37NO7/c1-2-3-4-5-6-7-8-9-10-11-12-27-19(26)20-15(13-21)17(24)18(25)16(23)14-22/h13,15-18,22-25H,2-12,14H2,1H3,(H,20,26)/t15-,16+,17+,18+/m0/s1.
What are the key properties of dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate?
dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate has a molecular weight of 391.51 g/mol, XLogP of 1.28, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 87268278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).