CAS No.: 147852-83-3 — N-[(3s)-2-Oxotetrahydrofuran-3-Yl]hexanamide (N-己酰-L-高丝氨酸内酯)

1. Primary Information

English name:	N-[(3s)-2-Oxotetrahydrofuran-3-Yl]hexanamide
CAS No.:	147852-83-3
Molecular formula:	C₁₀H₁₇NO₃
Molecular weight:	199.25 g/mol
SMILES:	CCCCCC(=O)NC1CCOC1=O
Structural class:
Other identifiers:	C6-AHL HHL-serine N-hexanoyl-L-homoserine lactone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	96%	640	-20℃	in stock	-
Kehua Intelligence	100mg	96%	1536	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 31 0 1 0 0 0 0 0999 V2000 4.3936 -0.4151 0.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 -2.0666 -0.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3067 1.2579 -1.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9076 -0.1789 0.1932 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2018 0.2404 -0.2504 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8334 1.2760 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 1.0007 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 0.3157 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -0.2616 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 -0.3977 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1813 -0.8981 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 0.3758 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3322 0.2186 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -0.4670 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1701 0.5828 -1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 1.1041 1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 2.3030 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7161 1.5019 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 1.2869 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 1.3854 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 0.2401 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -0.1312 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -1.3377 0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 -0.8988 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 -1.4619 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0058 -0.3328 1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 0.1385 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3639 1.2858 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4686 -0.0115 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5667 -1.5313 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5582 -0.3754 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[(3S)-2-oxooxolan-3-yl]hexanamide

4.2 InChI

InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1

4.3 InChIKey

ZJFKKPDLNLCPNP-QMMMGPOBSA-N

4.4 Canonical SMILES

CCCCCC(=O)NC1CCOC1=O

4.5 Isomeric SMILES

CCCCCC(=O)N[C@H]1CCOC1=O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)