C11H15N5O4 Adenosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
Helu Kakau CAS
2140-79-6
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 281.27 | - |
| Lae hehee (Hoʻokolohua) | 204-206 °C | - |
| Lae paila (Wanamua) | 623.8±65.0 °C | Paʻi: 760 Torr |
| ʻO ka mānoanoa (Wanamua) | 1.84±0.1 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr |
| pKa (Wanamua) | 13.13±0.70 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KAONIKA SMILES
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O
NĀ ʻAʻO ʻIsomeric
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O
InChI
InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13- 3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
InChI Ki
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Nā inoa ʻē aʻe no kēia mea
2′ -O-Methyladenosine (ACI); ʻO Cordysinin B
Loaʻa nā waiwai
Māmā
| Waiwai | Waiwai | Kumu Kūlana |
| Lae hehee | 204-206 °C | (1) CAS |
(1) Martinez-Montero, Saulo; European Journal of Organic Chemistry, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus
Loaʻa ka Spectra
1 H NMR
13 C NMR
IR
Mass
Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Kapili Pili
Māmā
| 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 | 1.78 | pH 5; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.97 | pH 6; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.99 | pH 7; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.99 | pH 8; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.99 | pH 9; Ka mahana: 25 °C | (1) ACD |
| Kumuwai Kūlana Waiwai |
| ʻO ka Bioconcentration Factor 1.99 pH 10; Mahana: 25 °C (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| 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 | 4.54 | pH 3; Ka mahana: 25 °C | (1) ACD |
| Koc | 26.0 | pH 4; Ka mahana: 25 °C | (1) ACD |
| Koc | 51.0 | pH 5; Ka mahana: 25 °C | (1) ACD |
| Koc | 56.4 | pH 6; Ka mahana: 25 °C | (1) ACD |
| Koc | 57.0 | pH 7; Ka mahana: 25 °C | (1) ACD |
| Koc | 57.1 | pH 8; Ka mahana: 25 °C | (1) ACD |
| Koc | 57.1 | pH 9; Ka mahana: 25 °C | (1) ACD |
| Koc | 57.0 | pH 10; Ka mahana: 25 °C | (1) ACD |
| logD | -1.70 | pH 1; Ka mahana: 25 °C | (1) ACD |
| logD | -1.25 | pH 2; Ka mahana: 25 °C | (1) ACD |
| logD | -0.40 | pH 3; Ka mahana: 25 °C | (1) ACD |
| logD | 0.36 | pH 4; Ka mahana: 25 °C | (1) ACD |
| logD | 0.65 | pH 5; Ka mahana: 25 °C | (1) ACD |
| logD | 0.69 | pH 6; Ka mahana: 25 °C | (1) ACD |
| logD | 0.70 | pH 7; Ka mahana: 25 °C | (1) ACD |
| logD | 0.70 | pH 8; Ka mahana: 25 °C | (1) ACD |
| logD | 0.70 | pH 9; Ka mahana: 25 °C | (1) ACD |
| logD | 0.70 | pH 10; Ka mahana: 25 °C | (1) ACD |
| logP | 0.697±0.596 | Ka mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 3.7 g/L | Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 886 g/L | pH 1; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 309 g/L | pH 2; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 45 g/L | pH 3; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 7.9 g/L | pH 4; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.9 g/L | pH 5; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 g/L | pH 6; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 g/L | pH 7; Ka mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Ka hoʻoheheʻe nui | 3.7 g/L | pH 8; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 g/L | pH 9; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 g/L | pH 10; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 g/L | Wai hoʻopaʻa ʻole pH 8.07; Ka mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 0.013 mol/L | Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.15 mol/L | pH 1; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.10 mol/L | pH 2; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.16 mol/L | pH 3; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.028 mol/L | pH 4; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.014 mol/L | pH 5; Ka mahana: 25 °C | (1) ACD |
| 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 8.07; Ka mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 281.27 | ||
| pKa | 13.13±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 | 2.02 x 10-16 Torr | Ka mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.84±0.1 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 152.5±7.0 knm3/mol | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kumu Kūlana |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 5 | (1) ACD |
| H Ka poe e ae | 9 | (1) ACD |
| H Na kokua | 4 | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| H Hāʻawi/Acceptor Sum | 13 | (1) ACD | |
| logP | 0.697±0.596 | Ka mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 281.27 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kumu Kūlana |
| Wahi Polar | 129 A2 | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kūlana | Puna |
| Lae paila | 623.8±65.0 °C | Paʻi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 97.11±3.0 kJ/mol | Paʻi: 760 Torr | (1) ACD |
| Lae Flash | 331.0±34.3 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1 H NMR
13 C NMR
| Code | ʻŌlelo Hazard | Puna |
| H303 | He pōʻino paha ke ʻai ʻia | Hoʻoponopono ʻia ka loea |
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