C13H19N5O5 Adenosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)

ʻIkepili kumu:

Huahana Huahana

Mea kiko'ī

Helu Kakau CAS

168427-74-5

Na Waiwai Kino Nui	Waiwai	Kūlana
Kaumaha Molekala	325.32	-
Lae paila (Wanamua)	639.0±65.0 °C	Paʻi: 760 Torr
ʻO ka mānoanoa (Wanamua)	1.70±0.1 g/cm3	Ka mahana: 20 °C; Paʻi: 760 Torr
pKa (Wanamua)	13.12±0.70	ʻO ka Mahaʻawaʻawa loa: 25 °C

Nā inoa a me nā mea ʻike ʻē aʻe

KAONIKA SMILES

OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O

NĀ ʻAʻO ʻIsomeric

O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3

InChI

InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5-16- 12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3, (H2,14,15,16)/t7-,9-,10-,13-/m1/s1

InChI Ki

PUDXUJRJLRLJIU-QYVSTXNMSA-N

1 inoa ʻē aʻe no kēia mea

2′ -O-(2-Methoxyethyl)adenosine (ACI)

Loaʻa ka Spectra
1 H NMR
13 C NMR

Waiwai wānana

Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Kapili Pili
Māmā

olaola

Waiwai	Waiwai	Kūlana	Puna
ʻO ke kumu bioconcentration	1.0	pH 1; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.0	pH 2; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.0	pH 3; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.0	pH 4; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.18	pH 5; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.31	pH 6; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.32	pH 7; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.32	pH 8; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.32	pH 9; Ka mahana: 25 °C	(1) ACD
ʻO ke kumu bioconcentration	1.32	pH 10; Ka mahana: 25 °C	(1) ACD

Kemika

Waiwai	Waiwai	Kūlana	Puna
Koc	1.0	pH 1; Ka mahana: 25 °C	(1) ACD
Koc	1.0	pH 2; Ka mahana: 25 °C	(1) ACD
Koc	3.39	pH 3; Ka mahana: 25 °C	(1) ACD
Koc	19.4	pH 4; Ka mahana: 25 °C	(1) ACD
Koc	38.0	pH 5; Ka mahana: 25 °C	(1) ACD
Koc	42.0	pH 6; Ka mahana: 25 °C	(1) ACD
Koc	42.5	pH 7; Ka mahana: 25 °C	(1) ACD

Waiwai	Waiwai	Kūlana	Puna
Koc	42.5	pH 8; Ka mahana: 25 °C	(1) ACD
Koc	42.5	pH 9; Ka mahana: 25 °C	(1) ACD
Koc	42.5	pH 10; Ka mahana: 25 °C	(1) ACD
logD	-1.94	pH 1; Ka mahana: 25 °C	(1) ACD
logD	-1.48	pH 2; Ka mahana: 25 °C	(1) ACD
logD	-0.64	pH 3; Ka mahana: 25 °C	(1) ACD
logD	0.12	pH 4; Ka mahana: 25 °C	(1) ACD
logD	0.41	pH 5; Ka mahana: 25 °C	(1) ACD
logD	0.46	pH 6; Ka mahana: 25 °C	(1) ACD
logD	0.46	pH 7; Ka mahana: 25 °C	(1) ACD
logD	0.46	pH 8; Ka mahana: 25 °C	(1) ACD
logD	0.46	pH 9; Ka mahana: 25 °C	(1) ACD
logD	0.46	pH 10; Ka mahana: 25 °C	(1) ACD
logP	0.462±0.647	Ka mahana: 25 °C	(1) ACD
Hoʻoheheʻe i loko o ka nui	4.2 g/L	Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	999 g/L	pH 1; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	381 g/L	pH 2; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	55 g/L	pH 3; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	9.4 g/L	pH 4; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	4.9 g/L	pH 5; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	4.2 g/L	pH 6; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	4.2 g/L	pH 7; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	4.2 g/L	pH 8; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	4.2 g/L	pH 9; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	4.2 g/L	pH 10; Ka mahana: 25 °C	(1) ACD
Ka hoʻoheheʻe nui	4.2 g/L	Wai hoʻopaʻa ʻole pH 8.08; Ka mahana: 25 °C	(1) ACD
Molar Intrinsic Solubility	0.013 mol/L	Ka mahana: 25 °C	(1) ACD
Molar Solubility	3.07 mol/L	pH 1; Ka mahana: 25 °C	(1) ACD
Molar Solubility	1.17 mol/L	pH 2; Ka mahana: 25 °C	(1) ACD
Molar Solubility	0.17 mol/L	pH 3; Ka mahana: 25 °C	(1) ACD
Molar Solubility	0.029 mol/L	pH 4; Ka mahana: 25 °C	(1) ACD
Molar Solubility	0.015 mol/L	pH 5; Ka mahana: 25 °C	(1) ACD

Waiwai	Waiwai	Kūlana	Puna
Molar Solubility	0.013 mol/L	pH 6; Ka mahana: 25 °C	(1) ACD
Molar Solubility	0.013 mol/L	pH 7; Ka mahana: 25 °C	(1) ACD
Molar Solubility	0.013 mol/L	pH 8; Ka mahana: 25 °C	(1) ACD
Molar Solubility	0.013 mol/L	pH 9; Ka mahana: 25 °C	(1) ACD
Molar Solubility	0.013 mol/L	pH 10; Ka mahana: 25 °C	(1) ACD
Molar Solubility	0.013 mol/L	Wai hoʻopaʻa ʻole pH 8.08; Ka mahana: 25 °C	(1) ACD
Kaumaha Molekala	325.32
pKa	13.12±0.70	ʻO ka Mahaʻawaʻawa loa: 25 °C	(1) ACD
pKa	3.82±0.10	ʻO ka mahana kumu loa: 25 °C	(1) ACD
ʻO ke kaomi mahu	3.35 x 10-17 Torr	Ka mahana: 25 °C	(1) ACD

ʻO ka mānoanoa

Waiwai	Waiwai	Kūlana	Puna
ʻO ka mānoanoa	1.70±0.1 g/cm3	Ka mahana: 20 °C; Paʻi: 760 Torr	(1) ACD
Mola Volume	191.2±7.0 knm3/mol	Ka mahana: 20 °C; Paʻi: 760 Torr	(1) ACD

Lipinski

Waiwai	Waiwai	Kūlana	Puna
Nā Paʻa Hoʻololi Kūʻokoʻa	8		(1) ACD
H Ka poe e ae	10		(1) ACD
H Na kokua	4		(1) ACD
H Hāʻawi/Acceptor Sum	14		(1) ACD
logP	0.462±0.647	Ka mahana: 25 °C	(1) ACD
Kaumaha Molekala	325.32

Kapili Pili

Waiwai	Waiwai	Kumu Kūlana
Wahi Polar	138 A2	(1) ACD

Waiwai	Waiwai	Kūlana	Puna
Lae paila	639.0±65.0 °C	Paʻi: 760 Torr	(1) ACD
Enthalpy of Vaporization	99.17±3.0 kJ/mol	Paʻi: 760 Torr	(1) ACD
Lae Flash	340.2±34.3 °C		(1) ACD